11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione

C269H247N33O32 — CID 159024890

IUPAC11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
SMILESCC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2nccnc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2nccnc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2occc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2occc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cc4ccncc4c(c23)C1=O
InChIInChI=1S/C42H38N4O4.C38H34N8O4.2C38H34N4O6.2C38H36N4O4.C37H35N5O4/c1-26(2)44(22-23-46-40(48)34-17-8-15-32-30-13-6-4-11-28(30)25-36(38(32)34)42(46)50)20-9-18-43-19-21-45-39(47)33-16-7-14-31-29-12-5-3-10-27(29)24-35(37(31)33)41(45)49;1-22(2)44(18-19-46-36(48)26-9-4-7-24-32(26)28(38(46)50)21-30-34(24)43-14-12-41-30)16-5-10-39-15-17-45-35(47)25-8-3-6-23-31(25)27(37(45)49)20-29-33(23)42-13-11-40-29;1-22(2)40(16-17-42-36(44)28-9-4-7-26-24-11-19-48-32(24)21-30(34(26)28)38(42)46)14-5-12-39-13-15-41-35(43)27-8-3-6-25-23-10-18-47-31(23)20-29(33(25)27)37(41)45;1-22(2)40(16-17-42-36(44)28-9-4-7-26-32(28)30(38(42)46)21-24-11-19-48-34(24)26)14-5-12-39-13-15-41-35(43)27-8-3-6-25-31(27)29(37(41)45)20-23-10-18-47-33(23)25;1-24(2)40(19-8-17-39-18-20-41-35(43)29-14-5-10-25-11-6-15-30(32(25)29)36(41)44)21-22-42-37(45)31-16-7-12-27-23-26-9-3-4-13-28(26)34(33(27)31)38(42)46;1-24(2)40(19-8-17-39-18-20-41-35(43)29-14-5-10-25-11-6-15-30(33(25)29)36(41)44)21-22-42-37(45)31-16-7-13-28-27-12-4-3-9-26(27)23-32(34(28)31)38(42)46;1-23(2)40(17-6-14-38-16-18-41-34(43)27-10-3-7-24-8-4-11-28(31(24)27)35(41)44)19-20-42-36(45)29-12-5-9-26-21-25-13-15-39-22-30(25)33(32(26)29)37(42)46/h3-8,10-17,24-26,43H,9,18-23H2,1-2H3;3-4,6-9,11-14,20-22,39H,5,10,15-19H2,1-2H3;2*3-4,6-11,18-22,39H,5,12-17H2,1-2H3;2*3-7,9-16,23-24,39H,8,17-22H2,1-2H3;3-5,7-13,15,21-23,38H,6,14,16-20H2,1-2H3
InChIKeyJUDSLERJDNDVMT-UHFFFAOYSA-N
MW4454.13 g/mol
LogP40.06
Rot. Bonds77

About 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione

11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione (PubChem CID 159024890) has the molecular formula C269H247N33O32 and a molecular weight of 4454.13 g/mol. Its IUPAC name is 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione.

Molecular Properties

Compound Name11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
PubChem CID159024890
Molecular FormulaC269H247N33O32
Molecular Weight4454.13 g/mol
Exact Mass4450.87
IUPAC Name11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
SMILESCC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2nccnc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2nccnc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2occc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2occc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cc4ccncc4c(c23)C1=O
InChIInChI=1S/C42H38N4O4.C38H34N8O4.2C38H34N4O6.2C38H36N4O4.C37H35N5O4/c1-26(2)44(22-23-46-40(48)34-17-8-15-32-30-13-6-4-11-28(30)25-36(38(32)34)42(46)50)20-9-18-43-19-21-45-39(47)33-16-7-14-31-29-12-5-3-10-27(29)24-35(37(31)33)41(45)49;1-22(2)44(18-19-46-36(48)26-9-4-7-24-32(26)28(38(46)50)21-30-34(24)43-14-12-41-30)16-5-10-39-15-17-45-35(47)25-8-3-6-23-31(25)27(37(45)49)20-29-33(23)42-13-11-40-29;1-22(2)40(16-17-42-36(44)28-9-4-7-26-24-11-19-48-32(24)21-30(34(26)28)38(42)46)14-5-12-39-13-15-41-35(43)27-8-3-6-25-23-10-18-47-31(23)20-29(33(25)27)37(41)45;1-22(2)40(16-17-42-36(44)28-9-4-7-26-32(28)30(38(42)46)21-24-11-19-48-34(24)26)14-5-12-39-13-15-41-35(43)27-8-3-6-25-31(27)29(37(41)45)20-23-10-18-47-33(23)25;1-24(2)40(19-8-17-39-18-20-41-35(43)29-14-5-10-25-11-6-15-30(32(25)29)36(41)44)21-22-42-37(45)31-16-7-12-27-23-26-9-3-4-13-28(26)34(33(27)31)38(42)46;1-24(2)40(19-8-17-39-18-20-41-35(43)29-14-5-10-25-11-6-15-30(33(25)29)36(41)44)21-22-42-37(45)31-16-7-13-28-27-12-4-3-9-26(27)23-32(34(28)31)38(42)46;1-23(2)40(17-6-14-38-16-18-41-34(43)27-10-3-7-24-8-4-11-28(31(24)27)35(41)44)19-20-42-36(45)29-12-5-9-26-21-25-13-15-39-22-30(25)33(32(26)29)37(42)46/h3-8,10-17,24-26,43H,9,18-23H2,1-2H3;3-4,6-9,11-14,20-22,39H,5,10,15-19H2,1-2H3;2*3-4,6-11,18-22,39H,5,12-17H2,1-2H3;2*3-7,9-16,23-24,39H,8,17-22H2,1-2H3;3-5,7-13,15,21-23,38H,6,14,16-20H2,1-2H3
InChIKeyJUDSLERJDNDVMT-UHFFFAOYSA-N
XLogP40.06
TPSA747.22 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds77
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004454.13
LogP ≤ 540.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Analyze 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione with MolForge

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Related Compounds

Tert-butyl 4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazine-1-carboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentanal;2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)-2-pyridinyl]propyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione;methane;5-methyl-7-[6-(3-piperazin-1-ylpropyl)-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 157223228
2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 159111517
5-[3-[5-[5-(difluoromethyl)pyrido[3,2-b]indol-7-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]propoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 165371359
5-[8-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)isoquinolin-3-yl]-N-[3-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-benzofuran-5-yl]prop-2-ynyl]pyridine-2-carboxamide
CID 176295484
5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-N-[3-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-ynyl]pyridine-2-carboxamide
CID 176295492
5-[8-(1,3-dimethyl-2-oxo-7-propan-2-ylbenzimidazol-5-yl)isoquinolin-3-yl]-N-[3-[3-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-benzofuran-5-yl]prop-2-ynyl]pyridine-2-carboxamide
CID 176295628
5-[1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-7-fluoro-3,4-dihydro-2H-quinolin-6-yl]-N-[3-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-ynyl]pyridine-2-carboxamide
CID 176295713
3-[2-[3-[2-(6-Indazol-1-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
CID 44815861
4-(3-Benzo[f][1,10]phenanthrolin-11-ylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-oxa-3,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121368560
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-ethoxybenzamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
CID 134204625
N-benzoyl-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide;2-(2,6-dioxopiperidin-3-yl)-N-(4-ethoxybenzoyl)-1,3-dihydroisoindole-5-carboxamide;N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-quinolin-6-ylacetamide
CID 134204626
6-[5-[2-[3-(3-Oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]quinolin-6-yl]-1,10-phenanthrolin-2-yl]-14-[3-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 146231217

Frequently Asked Questions

What is the IUPAC name of 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
The IUPAC name of 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione (CID 159024890) is 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione.
What is the SMILES notation for 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
The canonical SMILES for 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione is CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2nccnc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2nccnc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3c2c(cc2occc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2occc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccccc23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O.CC(C)N(CCCNCCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cc4ccncc4c(c23)C1=O.
What is the InChIKey of 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
The InChIKey is JUDSLERJDNDVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O4.C38H34N8O4.2C38H34N4O6.2C38H36N4O4.C37H35N5O4/c1-26(2)44(22-23-46-40(48)34-17-8-15-32-30-13-6-4-11-28(30)25-36(38(32)34)42(46)50)20-9-18-43-19-21-45-39(47)33-16-7-14-31-29-12-5-3-10-27(29)24-35(37(31)33)41(45)49;1-22(2)44(18-19-46-36(48)26-9-4-7-24-32(26)28(38(46)50)21-30-34(24)43-14-12-41-30)16-5-10-39-15-17-45-35(47)25-8-3-6-23-31(25)27(37(45)49)20-29-33(23)42-13-11-40-29;1-22(2)40(16-17-42-36(44)28-9-4-7-26-24-11-19-48-32(24)21-30(34(26)28)38(42)46)14-5-12-39-13-15-41-35(43)27-8-3-6-25-23-10-18-47-31(23)20-29(33(25)27)37(41)45;1-22(2)40(16-17-42-36(44)28-9-4-7-26-32(28)30(38(42)46)21-24-11-19-48-34(24)26)14-5-12-39-13-15-41-35(43)27-8-3-6-25-31(27)29(37(41)45)20-23-10-18-47-33(23)25;1-24(2)40(19-8-17-39-18-20-41-35(43)29-14-5-10-25-11-6-15-30(32(25)29)36(41)44)21-22-42-37(45)31-16-7-12-27-23-26-9-3-4-13-28(26)34(33(27)31)38(42)46;1-24(2)40(19-8-17-39-18-20-41-35(43)29-14-5-10-25-11-6-15-30(33(25)29)36(41)44)21-22-42-37(45)31-16-7-13-28-27-12-4-3-9-26(27)23-32(34(28)31)38(42)46;1-23(2)40(17-6-14-38-16-18-41-34(43)27-10-3-7-24-8-4-11-28(31(24)27)35(41)44)19-20-42-36(45)29-12-5-9-26-21-25-13-15-39-22-30(25)33(32(26)29)37(42)46/h3-8,10-17,24-26,43H,9,18-23H2,1-2H3;3-4,6-9,11-14,20-22,39H,5,10,15-19H2,1-2H3;2*3-4,6-11,18-22,39H,5,12-17H2,1-2H3;2*3-7,9-16,23-24,39H,8,17-22H2,1-2H3;3-5,7-13,15,21-23,38H,6,14,16-20H2,1-2H3.
What are the key properties of 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione?
11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione has a molecular weight of 4454.13 g/mol, XLogP of 40.06, 77 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[3-[2-(10,12-dioxo-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;11-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;15-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl-propan-2-ylamino]ethyl]-4,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaene-14,16-dione;3-[2-[3-[2-(2,4-dioxo-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione;3-[2-[3-[2-(2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaen-3-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-2,4-dione;11-[2-[3-[2-(10,12-dioxo-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-yl)ethyl-propan-2-ylamino]propylamino]ethyl]-3,6,11-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione is sourced from PubChem (CID 159024890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).