(7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one

C279H342N54O18 — CID 160606550

IUPAC(7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one
SMILESCc1cc2cc3c(cc2cc1OCCCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O
InChIInChI=1S/C35H46N6O2.C34H44N6O2.C33H42N6O2.C32H40N6O2.C31H38N6O2.C30H36N6O2.C29H34N6O2.C28H32N6O2.C27H30N6O2/c1-27-22-28-23-31-32(38-26-30-12-10-16-41(30)34(31)42)24-29(28)25-33(27)43-21-9-7-5-3-2-4-6-8-15-39-17-19-40(20-18-39)35-36-13-11-14-37-35;1-26-21-27-22-30-31(37-25-29-11-9-15-40(29)33(30)41)23-28(27)24-32(26)42-20-8-6-4-2-3-5-7-14-38-16-18-39(19-17-38)34-35-12-10-13-36-34;1-25-20-26-21-29-30(36-24-28-10-8-14-39(28)32(29)40)22-27(26)23-31(25)41-19-7-5-3-2-4-6-13-37-15-17-38(18-16-37)33-34-11-9-12-35-33;1-24-19-25-20-28-29(35-23-27-9-7-13-38(27)31(28)39)21-26(25)22-30(24)40-18-6-4-2-3-5-12-36-14-16-37(17-15-36)32-33-10-8-11-34-32;1-23-18-24-19-27-28(34-22-26-8-6-12-37(26)30(27)38)20-25(24)21-29(23)39-17-5-3-2-4-11-35-13-15-36(16-14-35)31-32-9-7-10-33-31;1-22-17-23-18-26-27(33-21-25-7-5-11-36(25)29(26)37)19-24(23)20-28(22)38-16-4-2-3-10-34-12-14-35(15-13-34)30-31-8-6-9-32-30;1-21-16-22-17-25-26(32-20-24-6-4-10-35(24)28(25)36)18-23(22)19-27(21)37-15-3-2-9-33-11-13-34(14-12-33)29-30-7-5-8-31-29;1-20-15-21-16-24-25(31-19-23-5-2-9-34(23)27(24)35)17-22(21)18-26(20)36-14-4-8-32-10-12-33(13-11-32)28-29-6-3-7-30-28;1-19-14-20-15-23-24(30-18-22-4-2-7-33(22)26(23)34)16-21(20)17-25(19)35-13-12-31-8-10-32(11-9-31)27-28-5-3-6-29-27/h11,13-14,22-26,30H,2-10,12,15-21H2,1H3;10,12-13,21-25,29H,2-9,11,14-20H2,1H3;9,11-12,20-24,28H,2-8,10,13-19H2,1H3;8,10-11,19-23,27H,2-7,9,12-18H2,1H3;7,9-10,18-22,26H,2-6,8,11-17H2,1H3;6,8-9,17-21,25H,2-5,7,10-16H2,1H3;5,7-8,16-20,24H,2-4,6,9-15H2,1H3;3,6-7,15-19,23H,2,4-5,8-14H2,1H3;3,5-6,14-18,22H,2,4,7-13H2,1H3/t30-;29-;28-;27-;26-;25-;24-;23-;22-/m000000000/s1
InChIKeyREYGFXFDWDJAAX-BSKTZBRHSA-N
MW4740.17 g/mol
LogP45.18
Rot. Bonds81

About (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one

(7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one (PubChem CID 160606550) has the molecular formula C279H342N54O18 and a molecular weight of 4740.17 g/mol. Its IUPAC name is (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one.

Molecular Properties

Compound Name(7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one
PubChem CID160606550
Molecular FormulaC279H342N54O18
Molecular Weight4740.17 g/mol
Exact Mass4736.75
IUPAC Name(7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one
SMILESCc1cc2cc3c(cc2cc1OCCCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O
InChIInChI=1S/C35H46N6O2.C34H44N6O2.C33H42N6O2.C32H40N6O2.C31H38N6O2.C30H36N6O2.C29H34N6O2.C28H32N6O2.C27H30N6O2/c1-27-22-28-23-31-32(38-26-30-12-10-16-41(30)34(31)42)24-29(28)25-33(27)43-21-9-7-5-3-2-4-6-8-15-39-17-19-40(20-18-39)35-36-13-11-14-37-35;1-26-21-27-22-30-31(37-25-29-11-9-15-40(29)33(30)41)23-28(27)24-32(26)42-20-8-6-4-2-3-5-7-14-38-16-18-39(19-17-38)34-35-12-10-13-36-34;1-25-20-26-21-29-30(36-24-28-10-8-14-39(28)32(29)40)22-27(26)23-31(25)41-19-7-5-3-2-4-6-13-37-15-17-38(18-16-37)33-34-11-9-12-35-33;1-24-19-25-20-28-29(35-23-27-9-7-13-38(27)31(28)39)21-26(25)22-30(24)40-18-6-4-2-3-5-12-36-14-16-37(17-15-36)32-33-10-8-11-34-32;1-23-18-24-19-27-28(34-22-26-8-6-12-37(26)30(27)38)20-25(24)21-29(23)39-17-5-3-2-4-11-35-13-15-36(16-14-35)31-32-9-7-10-33-31;1-22-17-23-18-26-27(33-21-25-7-5-11-36(25)29(26)37)19-24(23)20-28(22)38-16-4-2-3-10-34-12-14-35(15-13-34)30-31-8-6-9-32-30;1-21-16-22-17-25-26(32-20-24-6-4-10-35(24)28(25)36)18-23(22)19-27(21)37-15-3-2-9-33-11-13-34(14-12-33)29-30-7-5-8-31-29;1-20-15-21-16-24-25(31-19-23-5-2-9-34(23)27(24)35)17-22(21)18-26(20)36-14-4-8-32-10-12-33(13-11-32)28-29-6-3-7-30-28;1-19-14-20-15-23-24(30-18-22-4-2-7-33(22)26(23)34)16-21(20)17-25(19)35-13-12-31-8-10-32(11-9-31)27-28-5-3-6-29-27/h11,13-14,22-26,30H,2-10,12,15-21H2,1H3;10,12-13,21-25,29H,2-9,11,14-20H2,1H3;9,11-12,20-24,28H,2-8,10,13-19H2,1H3;8,10-11,19-23,27H,2-7,9,12-18H2,1H3;7,9-10,18-22,26H,2-6,8,11-17H2,1H3;6,8-9,17-21,25H,2-5,7,10-16H2,1H3;5,7-8,16-20,24H,2-4,6,9-15H2,1H3;3,6-7,15-19,23H,2,4-5,8-14H2,1H3;3,5-6,14-18,22H,2,4,7-13H2,1H3/t30-;29-;28-;27-;26-;25-;24-;23-;22-/m000000000/s1
InChIKeyREYGFXFDWDJAAX-BSKTZBRHSA-N
XLogP45.18
TPSA667.44 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds81
Heavy Atoms351
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004740.17
LogP ≤ 545.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Analyze (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one?
The IUPAC name of (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one (CID 160606550) is (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one.
What is the SMILES notation for (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one?
The canonical SMILES for (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one is Cc1cc2cc3c(cc2cc1OCCCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.Cc1cc2cc3c(cc2cc1OCCN1CCN(c2ncccn2)CC1)N=C[C@@H]1CCCN1C3=O.
What is the InChIKey of (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one?
The InChIKey is REYGFXFDWDJAAX-BSKTZBRHSA-N. The full InChI is InChI=1S/C35H46N6O2.C34H44N6O2.C33H42N6O2.C32H40N6O2.C31H38N6O2.C30H36N6O2.C29H34N6O2.C28H32N6O2.C27H30N6O2/c1-27-22-28-23-31-32(38-26-30-12-10-16-41(30)34(31)42)24-29(28)25-33(27)43-21-9-7-5-3-2-4-6-8-15-39-17-19-40(20-18-39)35-36-13-11-14-37-35;1-26-21-27-22-30-31(37-25-29-11-9-15-40(29)33(30)41)23-28(27)24-32(26)42-20-8-6-4-2-3-5-7-14-38-16-18-39(19-17-38)34-35-12-10-13-36-34;1-25-20-26-21-29-30(36-24-28-10-8-14-39(28)32(29)40)22-27(26)23-31(25)41-19-7-5-3-2-4-6-13-37-15-17-38(18-16-37)33-34-11-9-12-35-33;1-24-19-25-20-28-29(35-23-27-9-7-13-38(27)31(28)39)21-26(25)22-30(24)40-18-6-4-2-3-5-12-36-14-16-37(17-15-36)32-33-10-8-11-34-32;1-23-18-24-19-27-28(34-22-26-8-6-12-37(26)30(27)38)20-25(24)21-29(23)39-17-5-3-2-4-11-35-13-15-36(16-14-35)31-32-9-7-10-33-31;1-22-17-23-18-26-27(33-21-25-7-5-11-36(25)29(26)37)19-24(23)20-28(22)38-16-4-2-3-10-34-12-14-35(15-13-34)30-31-8-6-9-32-30;1-21-16-22-17-25-26(32-20-24-6-4-10-35(24)28(25)36)18-23(22)19-27(21)37-15-3-2-9-33-11-13-34(14-12-33)29-30-7-5-8-31-29;1-20-15-21-16-24-25(31-19-23-5-2-9-34(23)27(24)35)17-22(21)18-26(20)36-14-4-8-32-10-12-33(13-11-32)28-29-6-3-7-30-28;1-19-14-20-15-23-24(30-18-22-4-2-7-33(22)26(23)34)16-21(20)17-25(19)35-13-12-31-8-10-32(11-9-31)27-28-5-3-6-29-27/h11,13-14,22-26,30H,2-10,12,15-21H2,1H3;10,12-13,21-25,29H,2-9,11,14-20H2,1H3;9,11-12,20-24,28H,2-8,10,13-19H2,1H3;8,10-11,19-23,27H,2-7,9,12-18H2,1H3;7,9-10,18-22,26H,2-6,8,11-17H2,1H3;6,8-9,17-21,25H,2-5,7,10-16H2,1H3;5,7-8,16-20,24H,2-4,6,9-15H2,1H3;3,6-7,15-19,23H,2,4-5,8-14H2,1H3;3,5-6,14-18,22H,2,4,7-13H2,1H3/t30-;29-;28-;27-;26-;25-;24-;23-;22-/m000000000/s1.
What are the key properties of (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one?
(7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one has a molecular weight of 4740.17 g/mol, XLogP of 45.18, 81 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-15-methyl-14-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[10-(4-pyrimidin-2-ylpiperazin-1-yl)decoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[7-(4-pyrimidin-2-ylpiperazin-1-yl)heptoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[9-(4-pyrimidin-2-ylpiperazin-1-yl)nonoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[8-(4-pyrimidin-2-ylpiperazin-1-yl)octoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one;(7S)-15-methyl-14-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one is sourced from PubChem (CID 160606550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).