15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

C114H120N16O20 — CID 157359817

IUPAC15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
SMILESCC1CC1CNCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNC2CC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNCC2CCC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNCc2ccncc2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C25H24N4O4.2C24H27N3O4.C22H23N3O4.C19H19N3O4/c1-29-17(13-27-12-14-5-7-26-8-6-14)9-16-10-19-15(11-20(16)29)3-2-4-18-22(19)28-24(31)21(23(18)30)25(32)33;1-12-6-15(12)10-25-11-16-7-14-8-18-13(9-19(14)27(16)2)4-3-5-17-21(18)26-23(29)20(22(17)28)24(30)31;1-27-16(12-25-11-13-4-2-5-13)8-15-9-18-14(10-19(15)27)6-3-7-17-21(18)26-23(29)20(22(17)28)24(30)31;1-25-14(10-23-13-5-6-13)7-12-8-16-11(9-17(12)25)3-2-4-15-19(16)24-21(27)18(20(15)26)22(28)29;1-22-11(8-20)5-10-6-13-9(7-14(10)22)3-2-4-12-16(13)21-18(24)15(17(12)23)19(25)26/h5-11,27H,2-4,12-13H2,1H3,(H,32,33)(H2,28,30,31);7-9,12,15,25H,3-6,10-11H2,1-2H3,(H,30,31)(H2,26,28,29);8-10,13,25H,2-7,11-12H2,1H3,(H,30,31)(H2,26,28,29);7-9,13,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);5-7H,2-4,8,20H2,1H3,(H,25,26)(H2,21,23,24)
InChIKeyBIMSTGYJFDHDGV-UHFFFAOYSA-N
MW2034.31 g/mol
LogP14.16
Rot. Bonds21

About 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (PubChem CID 157359817) has the molecular formula C114H120N16O20 and a molecular weight of 2034.31 g/mol. Its IUPAC name is 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
PubChem CID157359817
Molecular FormulaC114H120N16O20
Molecular Weight2034.31 g/mol
Exact Mass2032.89
IUPAC Name15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
SMILESCC1CC1CNCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNC2CC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNCC2CCC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNCc2ccncc2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C25H24N4O4.2C24H27N3O4.C22H23N3O4.C19H19N3O4/c1-29-17(13-27-12-14-5-7-26-8-6-14)9-16-10-19-15(11-20(16)29)3-2-4-18-22(19)28-24(31)21(23(18)30)25(32)33;1-12-6-15(12)10-25-11-16-7-14-8-18-13(9-19(14)27(16)2)4-3-5-17-21(18)26-23(29)20(22(17)28)24(30)31;1-27-16(12-25-11-13-4-2-5-13)8-15-9-18-14(10-19(15)27)6-3-7-17-21(18)26-23(29)20(22(17)28)24(30)31;1-25-14(10-23-13-5-6-13)7-12-8-16-11(9-17(12)25)3-2-4-15-19(16)24-21(27)18(20(15)26)22(28)29;1-22-11(8-20)5-10-6-13-9(7-14(10)22)3-2-4-12-16(13)21-18(24)15(17(12)23)19(25)26/h5-11,27H,2-4,12-13H2,1H3,(H,32,33)(H2,28,30,31);7-9,12,15,25H,3-6,10-11H2,1-2H3,(H,30,31)(H2,26,28,29);8-10,13,25H,2-7,11-12H2,1H3,(H,30,31)(H2,26,28,29);7-9,13,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);5-7H,2-4,8,20H2,1H3,(H,25,26)(H2,21,23,24)
InChIKeyBIMSTGYJFDHDGV-UHFFFAOYSA-N
XLogP14.16
TPSA563.63 Ų
H-Bond Donors20
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002034.31
LogP ≤ 514.16
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1026

Analyze 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The IUPAC name of 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (CID 157359817) is 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.
What is the SMILES notation for 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The canonical SMILES for 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is CC1CC1CNCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNC2CC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNCC2CCC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNCc2ccncc2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The InChIKey is BIMSTGYJFDHDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4.2C24H27N3O4.C22H23N3O4.C19H19N3O4/c1-29-17(13-27-12-14-5-7-26-8-6-14)9-16-10-19-15(11-20(16)29)3-2-4-18-22(19)28-24(31)21(23(18)30)25(32)33;1-12-6-15(12)10-25-11-16-7-14-8-18-13(9-19(14)27(16)2)4-3-5-17-21(18)26-23(29)20(22(17)28)24(30)31;1-27-16(12-25-11-13-4-2-5-13)8-15-9-18-14(10-19(15)27)6-3-7-17-21(18)26-23(29)20(22(17)28)24(30)31;1-25-14(10-23-13-5-6-13)7-12-8-16-11(9-17(12)25)3-2-4-15-19(16)24-21(27)18(20(15)26)22(28)29;1-22-11(8-20)5-10-6-13-9(7-14(10)22)3-2-4-12-16(13)21-18(24)15(17(12)23)19(25)26/h5-11,27H,2-4,12-13H2,1H3,(H,32,33)(H2,28,30,31);7-9,12,15,25H,3-6,10-11H2,1-2H3,(H,30,31)(H2,26,28,29);8-10,13,25H,2-7,11-12H2,1H3,(H,30,31)(H2,26,28,29);7-9,13,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);5-7H,2-4,8,20H2,1H3,(H,25,26)(H2,21,23,24).
What are the key properties of 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid has a molecular weight of 2034.31 g/mol, XLogP of 14.16, 21 rotatable bonds, 20 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(aminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclobutylmethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[[(2-methylcyclopropyl)methylamino]methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-[(pyridin-4-ylmethylamino)methyl]-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is sourced from PubChem (CID 157359817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).