(14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one

C99H110N38O12 — CID 164970144

IUPAC(14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one
SMILESCNc1cc2nc3c(cnn13)C(=O)N[C@H](C)C(C)OCc1ccc(OC)c(c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3c(c1)ncn3C)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3ncn(C)c3c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3nn(C)nc3c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3oc(C)nc3c1)N2
InChIInChI=1S/2C20H22N8O2.C20H21N7O3.C20H24N6O3.C19H21N9O2/c1-11-8-30-9-12-4-14(18-15(5-12)27(3)10-22-18)25-16-6-17(21-2)28-19(26-16)13(7-23-28)20(29)24-11;1-11-8-30-9-12-4-14-18(27(3)10-22-14)15(5-12)25-16-6-17(21-2)28-19(26-16)13(7-23-28)20(29)24-11;1-10-8-29-9-12-4-14-18(30-11(2)24-14)15(5-12)25-16-6-17(21-3)27-19(26-16)13(7-22-27)20(28)23-10;1-11-12(2)29-10-13-5-6-16(28-4)15(7-13)24-17-8-18(21-3)26-19(25-17)14(9-22-26)20(27)23-11;1-10-8-30-9-11-4-13(17-14(5-11)25-27(3)26-17)23-15-6-16(20-2)28-18(24-15)12(7-21-28)19(29)22-10/h2*4-7,10-11,21H,8-9H2,1-3H3,(H,24,29)(H,25,26);4-7,10,21H,8-9H2,1-3H3,(H,23,28)(H,25,26);5-9,11-12,21H,10H2,1-4H3,(H,23,27)(H,24,25);4-7,10,20H,8-9H2,1-3H3,(H,22,29)(H,23,24)/t2*11-;10-;11-,12?;10-/m11111/s1
InChIKeyCZWOIEQPJSFURL-FTZCHWIMSA-N
MW2024.22 g/mol
LogP10.72
Rot. Bonds6

About (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one

(14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one (PubChem CID 164970144) has the molecular formula C99H110N38O12 and a molecular weight of 2024.22 g/mol. Its IUPAC name is (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one.

Molecular Properties

Compound Name(14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one
PubChem CID164970144
Molecular FormulaC99H110N38O12
Molecular Weight2024.22 g/mol
Exact Mass2022.92
IUPAC Name(14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one
SMILESCNc1cc2nc3c(cnn13)C(=O)N[C@H](C)C(C)OCc1ccc(OC)c(c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3c(c1)ncn3C)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3ncn(C)c3c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3nn(C)nc3c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3oc(C)nc3c1)N2
InChIInChI=1S/2C20H22N8O2.C20H21N7O3.C20H24N6O3.C19H21N9O2/c1-11-8-30-9-12-4-14(18-15(5-12)27(3)10-22-18)25-16-6-17(21-2)28-19(26-16)13(7-23-28)20(29)24-11;1-11-8-30-9-12-4-14-18(27(3)10-22-14)15(5-12)25-16-6-17(21-2)28-19(26-16)13(7-23-28)20(29)24-11;1-10-8-29-9-12-4-14-18(30-11(2)24-14)15(5-12)25-16-6-17(21-3)27-19(26-16)13(7-22-27)20(28)23-10;1-11-12(2)29-10-13-5-6-16(28-4)15(7-13)24-17-8-18(21-3)26-19(25-17)14(9-22-26)20(27)23-11;1-10-8-30-9-11-4-13(17-14(5-11)25-27(3)26-17)23-15-6-16(20-2)28-18(24-15)12(7-21-28)19(29)22-10/h2*4-7,10-11,21H,8-9H2,1-3H3,(H,24,29)(H,25,26);4-7,10,21H,8-9H2,1-3H3,(H,23,28)(H,25,26);5-9,11-12,21H,10H2,1-4H3,(H,23,27)(H,24,25);4-7,10,20H,8-9H2,1-3H3,(H,22,29)(H,23,24)/t2*11-;10-;11-,12?;10-/m11111/s1
InChIKeyCZWOIEQPJSFURL-FTZCHWIMSA-N
XLogP10.72
TPSA564.51 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds6
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.22
LogP ≤ 510.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one?
The IUPAC name of (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one (CID 164970144) is (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one.
What is the SMILES notation for (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one?
The canonical SMILES for (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one is CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)C(C)OCc1ccc(OC)c(c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3c(c1)ncn3C)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3ncn(C)c3c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3nn(C)nc3c1)N2.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c3oc(C)nc3c1)N2.
What is the InChIKey of (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one?
The InChIKey is CZWOIEQPJSFURL-FTZCHWIMSA-N. The full InChI is InChI=1S/2C20H22N8O2.C20H21N7O3.C20H24N6O3.C19H21N9O2/c1-11-8-30-9-12-4-14(18-15(5-12)27(3)10-22-18)25-16-6-17(21-2)28-19(26-16)13(7-23-28)20(29)24-11;1-11-8-30-9-12-4-14-18(27(3)10-22-14)15(5-12)25-16-6-17(21-2)28-19(26-16)13(7-23-28)20(29)24-11;1-10-8-29-9-12-4-14-18(30-11(2)24-14)15(5-12)25-16-6-17(21-3)27-19(26-16)13(7-22-27)20(28)23-10;1-11-12(2)29-10-13-5-6-16(28-4)15(7-13)24-17-8-18(21-3)26-19(25-17)14(9-22-26)20(27)23-11;1-10-8-30-9-11-4-13(17-14(5-11)25-27(3)26-17)23-15-6-16(20-2)28-18(24-15)12(7-21-28)19(29)22-10/h2*4-7,10-11,21H,8-9H2,1-3H3,(H,24,29)(H,25,26);4-7,10,21H,8-9H2,1-3H3,(H,23,28)(H,25,26);5-9,11-12,21H,10H2,1-4H3,(H,23,27)(H,24,25);4-7,10,20H,8-9H2,1-3H3,(H,22,29)(H,23,24)/t2*11-;10-;11-,12?;10-/m11111/s1.
What are the key properties of (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one?
(14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one has a molecular weight of 2024.22 g/mol, XLogP of 10.72, 6 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-6,14-dimethyl-21-(methylamino)-5,12-dioxa-2,7,15,19,20,23-hexazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-5,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4(8),6,9,17(24),18,21-octaen-16-one;(14R)-7,14-dimethyl-21-(methylamino)-12-oxa-2,5,7,15,19,20,23-heptazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3,5,8,10(25),17(24),18,21-octaen-16-one;(14R)-6,14-dimethyl-21-(methylamino)-12-oxa-2,5,6,7,15,19,20,23-octazapentacyclo[15.5.2.13,10.04,8.020,24]pentacosa-1(23),3(25),4,7,9,17(24),18,21-octaen-16-one;(11R)-4-methoxy-10,11-dimethyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one is sourced from PubChem (CID 164970144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).