8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C302H279BrN46O24S7 — CID 158123343

IUPAC8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESC.CC(C)(c1ccc(Br)cc1)c1nc(NC(=O)C2(C)CC3([N+](=O)[O-])c4ccccc4C2c2ccccc23)n[nH]1.CC1(C(=O)Nc2n[nH]c(Cc3ccccc3)n2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCN(c4ccccc4)CC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCOCC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2(N)c3ccccc3C1c1ccccc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)c1ccccc12.COc1ccc(Cc2nc(NC(=O)C3(C)CC4([N+](=O)[O-])c5ccccc5C3c3ccccc34)n[nH]2)cc1.Cc1ccc(Cc2csc(NC(=O)C3(C)CC4(N)c5ccccc5C3c3ccccc34)n2)cc1.[C-]#[N+]C12CC(C)(C(=O)Nc3nc(CN4CCN(c5ccccn5)CC4)cs3)C(c3ccccc31)c1ccccc12
InChIInChI=1S/C34H29N3OS.C33H28N4OS.C32H30N6OS.C32H31N5O3S.C31H30N6O3S.C29H26BrN5O3.C29H27N3OS.C28H25N5O4.C27H23N5O3.C26H26N4O4S.CH4/c1-33-21-34(2,30(26-7-3-5-9-28(26)33)27-8-4-6-10-29(27)33)31(38)37-32-36-25(20-39-32)19-22-11-13-23(14-12-22)24-15-17-35-18-16-24;1-32(20-33(34)27-8-4-2-6-25(27)29(32)26-7-3-5-9-28(26)33)30(38)37-31-36-24(19-39-31)18-21-10-12-22(13-11-21)23-14-16-35-17-15-23;1-31(21-32(33-2)25-11-5-3-9-23(25)28(31)24-10-4-6-12-26(24)32)29(39)36-30-35-22(20-40-30)19-37-15-17-38(18-16-37)27-13-7-8-14-34-27;1-31(21-32(37(39)40)26-13-7-5-11-24(26)28(31)25-12-6-8-14-27(25)32)29(38)34-30-33-22(20-41-30)19-35-15-17-36(18-16-35)23-9-3-2-4-10-23;1-30(20-31(37(39)40)24-10-4-2-8-22(24)27(30)23-9-3-5-11-25(23)31)28(38)34-29-33-21(19-41-29)18-35-14-16-36(17-15-35)26-12-6-7-13-32-26;1-27(2,17-12-14-18(30)15-13-17)24-31-26(34-33-24)32-25(36)28(3)16-29(35(37)38)21-10-6-4-8-19(21)23(28)20-9-5-7-11-22(20)29;1-18-11-13-19(14-12-18)15-20-16-34-27(31-20)32-26(33)28(2)17-29(30)23-9-5-3-7-21(23)25(28)22-8-4-6-10-24(22)29;1-27(25(34)30-26-29-23(31-32-26)15-17-11-13-18(37-2)14-12-17)16-28(33(35)36)21-9-5-3-7-19(21)24(27)20-8-4-6-10-22(20)28;1-26(24(33)29-25-28-22(30-31-25)15-17-9-3-2-4-10-17)16-27(32(34)35)20-13-7-5-11-18(20)23(26)19-12-6-8-14-21(19)27;1-25(23(31)28-24-27-17(15-35-24)14-29-10-12-34-13-11-29)16-26(30(32)33)20-8-4-2-6-18(20)22(25)19-7-3-5-9-21(19)26;/h3-18,20,30H,19,21H2,1-2H3,(H,36,37,38);2-17,19,29H,18,20,34H2,1H3,(H,36,37,38);3-14,20,28H,15-19,21H2,1H3,(H,35,36,39);2-14,20,28H,15-19,21H2,1H3,(H,33,34,38);2-13,19,27H,14-18,20H2,1H3,(H,33,34,38);4-15,23H,16H2,1-3H3,(H2,31,32,33,34,36);3-14,16,25H,15,17,30H2,1-2H3,(H,31,32,33);3-14,24H,15-16H2,1-2H3,(H2,29,30,31,32,34);2-14,23H,15-16H2,1H3,(H2,28,29,30,31,33);2-9,15,22H,10-14,16H2,1H3,(H,27,28,31);1H4
InChIKeyFRWBWBMWVPDERV-UHFFFAOYSA-N
MW5241.23 g/mol
LogP55.06
Rot. Bonds52

About 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 158123343) has the molecular formula C302H279BrN46O24S7 and a molecular weight of 5241.23 g/mol. Its IUPAC name is 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID158123343
Molecular FormulaC302H279BrN46O24S7
Molecular Weight5241.23 g/mol
Exact Mass5235.93
IUPAC Name8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESC.CC(C)(c1ccc(Br)cc1)c1nc(NC(=O)C2(C)CC3([N+](=O)[O-])c4ccccc4C2c2ccccc23)n[nH]1.CC1(C(=O)Nc2n[nH]c(Cc3ccccc3)n2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCN(c4ccccc4)CC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCOCC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2(N)c3ccccc3C1c1ccccc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)c1ccccc12.COc1ccc(Cc2nc(NC(=O)C3(C)CC4([N+](=O)[O-])c5ccccc5C3c3ccccc34)n[nH]2)cc1.Cc1ccc(Cc2csc(NC(=O)C3(C)CC4(N)c5ccccc5C3c3ccccc34)n2)cc1.[C-]#[N+]C12CC(C)(C(=O)Nc3nc(CN4CCN(c5ccccn5)CC4)cs3)C(c3ccccc31)c1ccccc12
InChIInChI=1S/C34H29N3OS.C33H28N4OS.C32H30N6OS.C32H31N5O3S.C31H30N6O3S.C29H26BrN5O3.C29H27N3OS.C28H25N5O4.C27H23N5O3.C26H26N4O4S.CH4/c1-33-21-34(2,30(26-7-3-5-9-28(26)33)27-8-4-6-10-29(27)33)31(38)37-32-36-25(20-39-32)19-22-11-13-23(14-12-22)24-15-17-35-18-16-24;1-32(20-33(34)27-8-4-2-6-25(27)29(32)26-7-3-5-9-28(26)33)30(38)37-31-36-24(19-39-31)18-21-10-12-22(13-11-21)23-14-16-35-17-15-23;1-31(21-32(33-2)25-11-5-3-9-23(25)28(31)24-10-4-6-12-26(24)32)29(39)36-30-35-22(20-40-30)19-37-15-17-38(18-16-37)27-13-7-8-14-34-27;1-31(21-32(37(39)40)26-13-7-5-11-24(26)28(31)25-12-6-8-14-27(25)32)29(38)34-30-33-22(20-41-30)19-35-15-17-36(18-16-35)23-9-3-2-4-10-23;1-30(20-31(37(39)40)24-10-4-2-8-22(24)27(30)23-9-3-5-11-25(23)31)28(38)34-29-33-21(19-41-29)18-35-14-16-36(17-15-35)26-12-6-7-13-32-26;1-27(2,17-12-14-18(30)15-13-17)24-31-26(34-33-24)32-25(36)28(3)16-29(35(37)38)21-10-6-4-8-19(21)23(28)20-9-5-7-11-22(20)29;1-18-11-13-19(14-12-18)15-20-16-34-27(31-20)32-26(33)28(2)17-29(30)23-9-5-3-7-21(23)25(28)22-8-4-6-10-24(22)29;1-27(25(34)30-26-29-23(31-32-26)15-17-11-13-18(37-2)14-12-17)16-28(33(35)36)21-9-5-3-7-19(21)24(27)20-8-4-6-10-22(20)28;1-26(24(33)29-25-28-22(30-31-25)15-17-9-3-2-4-10-17)16-27(32(34)35)20-13-7-5-11-18(20)23(26)19-12-6-8-14-21(19)27;1-25(23(31)28-24-27-17(15-35-24)14-29-10-12-34-13-11-29)16-26(30(32)33)20-8-4-2-6-18(20)22(25)19-7-3-5-9-21(19)26;/h3-18,20,30H,19,21H2,1-2H3,(H,36,37,38);2-17,19,29H,18,20,34H2,1H3,(H,36,37,38);3-14,20,28H,15-19,21H2,1H3,(H,35,36,39);2-14,20,28H,15-19,21H2,1H3,(H,33,34,38);2-13,19,27H,14-18,20H2,1H3,(H,33,34,38);4-15,23H,16H2,1-3H3,(H2,31,32,33,34,36);3-14,16,25H,15,17,30H2,1-2H3,(H,31,32,33);3-14,24H,15-16H2,1-2H3,(H2,29,30,31,32,34);2-14,23H,15-16H2,1H3,(H2,28,29,30,31,33);2-9,15,22H,10-14,16H2,1H3,(H,27,28,31);1H4
InChIKeyFRWBWBMWVPDERV-UHFFFAOYSA-N
XLogP55.06
TPSA913.88 Ų
H-Bond Donors15
H-Bond Acceptors57
Rotatable Bonds52
Heavy Atoms380
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005241.23
LogP ≤ 555.06
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1057

Analyze 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 158123343) is 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is C.CC(C)(c1ccc(Br)cc1)c1nc(NC(=O)C2(C)CC3([N+](=O)[O-])c4ccccc4C2c2ccccc23)n[nH]1.CC1(C(=O)Nc2n[nH]c(Cc3ccccc3)n2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCN(c4ccccc4)CC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(CN3CCOCC3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.CC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2(N)c3ccccc3C1c1ccccc12.CC12CC(C)(C(=O)Nc3nc(Cc4ccc(-c5ccncc5)cc4)cs3)C(c3ccccc31)c1ccccc12.COc1ccc(Cc2nc(NC(=O)C3(C)CC4([N+](=O)[O-])c5ccccc5C3c3ccccc34)n[nH]2)cc1.Cc1ccc(Cc2csc(NC(=O)C3(C)CC4(N)c5ccccc5C3c3ccccc34)n2)cc1.[C-]#[N+]C12CC(C)(C(=O)Nc3nc(CN4CCN(c5ccccn5)CC4)cs3)C(c3ccccc31)c1ccccc12.
What is the InChIKey of 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is FRWBWBMWVPDERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3OS.C33H28N4OS.C32H30N6OS.C32H31N5O3S.C31H30N6O3S.C29H26BrN5O3.C29H27N3OS.C28H25N5O4.C27H23N5O3.C26H26N4O4S.CH4/c1-33-21-34(2,30(26-7-3-5-9-28(26)33)27-8-4-6-10-29(27)33)31(38)37-32-36-25(20-39-32)19-22-11-13-23(14-12-22)24-15-17-35-18-16-24;1-32(20-33(34)27-8-4-2-6-25(27)29(32)26-7-3-5-9-28(26)33)30(38)37-31-36-24(19-39-31)18-21-10-12-22(13-11-21)23-14-16-35-17-15-23;1-31(21-32(33-2)25-11-5-3-9-23(25)28(31)24-10-4-6-12-26(24)32)29(39)36-30-35-22(20-40-30)19-37-15-17-38(18-16-37)27-13-7-8-14-34-27;1-31(21-32(37(39)40)26-13-7-5-11-24(26)28(31)25-12-6-8-14-27(25)32)29(38)34-30-33-22(20-41-30)19-35-15-17-36(18-16-35)23-9-3-2-4-10-23;1-30(20-31(37(39)40)24-10-4-2-8-22(24)27(30)23-9-3-5-11-25(23)31)28(38)34-29-33-21(19-41-29)18-35-14-16-36(17-15-35)26-12-6-7-13-32-26;1-27(2,17-12-14-18(30)15-13-17)24-31-26(34-33-24)32-25(36)28(3)16-29(35(37)38)21-10-6-4-8-19(21)23(28)20-9-5-7-11-22(20)29;1-18-11-13-19(14-12-18)15-20-16-34-27(31-20)32-26(33)28(2)17-29(30)23-9-5-3-7-21(23)25(28)22-8-4-6-10-24(22)29;1-27(25(34)30-26-29-23(31-32-26)15-17-11-13-18(37-2)14-12-17)16-28(33(35)36)21-9-5-3-7-19(21)24(27)20-8-4-6-10-22(20)28;1-26(24(33)29-25-28-22(30-31-25)15-17-9-3-2-4-10-17)16-27(32(34)35)20-13-7-5-11-18(20)23(26)19-12-6-8-14-21(19)27;1-25(23(31)28-24-27-17(15-35-24)14-29-10-12-34-13-11-29)16-26(30(32)33)20-8-4-2-6-18(20)22(25)19-7-3-5-9-21(19)26;/h3-18,20,30H,19,21H2,1-2H3,(H,36,37,38);2-17,19,29H,18,20,34H2,1H3,(H,36,37,38);3-14,20,28H,15-19,21H2,1H3,(H,35,36,39);2-14,20,28H,15-19,21H2,1H3,(H,33,34,38);2-13,19,27H,14-18,20H2,1H3,(H,33,34,38);4-15,23H,16H2,1-3H3,(H2,31,32,33,34,36);3-14,16,25H,15,17,30H2,1-2H3,(H,31,32,33);3-14,24H,15-16H2,1-2H3,(H2,29,30,31,32,34);2-14,23H,15-16H2,1H3,(H2,28,29,30,31,33);2-9,15,22H,10-14,16H2,1H3,(H,27,28,31);1H4.
What are the key properties of 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 5241.23 g/mol, XLogP of 55.06, 52 rotatable bonds, 15 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-15-methyl-N-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-amino-15-methyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-(5-benzyl-1H-1,2,4-triazol-3-yl)-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;N-[5-[2-(4-bromophenyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8,15-dimethyl-N-[4-[(4-pyridin-4-ylphenyl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;8-isocyano-15-methyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;methane;N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-methyl-8-nitro-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 158123343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).