15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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

C186H154Cl2N24O13S5 — CID 160600692

IUPAC15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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
SMILESCC(=O)NC1(C(=O)Nc2nc(-c3ccc(C)c4ccccc34)cs2)CC2c3ccccc3C1c1ccccc12.COc1ccc(Cc2csc(NC(=O)C3(N)CC4(C)c5ccccc5C3c3ccccc34)n2)cc1.COc1ccc(Cc2csc(NC(=O)C3(N)CC4(Cl)c5ccccc5C3c3ccccc34)n2)cc1.NC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2(Cl)c3ccccc3C1c1ccccc12.NC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.NC1(C(=O)Nc2ncc(Cc3ccc(-c4ccncc4)cc3)[nH]2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12
InChIInChI=1S/C33H27N3O2S.C32H25ClN4OS.C32H26N6O3.C32H25N5O3S.C29H27N3O2S.C28H24ClN3O2S/c1-19-15-16-25(22-10-4-3-9-21(19)22)29-18-39-32(34-29)35-31(38)33(36-20(2)37)17-28-23-11-5-7-13-26(23)30(33)27-14-8-6-12-24(27)28;33-31-19-32(34,28(24-5-1-3-7-26(24)31)25-6-2-4-8-27(25)31)29(38)37-30-36-23(18-39-30)17-20-9-11-21(12-10-20)22-13-15-35-16-14-22;33-31(19-32(38(40)41)26-7-3-1-5-24(26)28(31)25-6-2-4-8-27(25)32)29(39)37-30-35-18-23(36-30)17-20-9-11-21(12-10-20)22-13-15-34-16-14-22;33-31(19-32(37(39)40)26-7-3-1-5-24(26)28(31)25-6-2-4-8-27(25)32)29(38)36-30-35-23(18-41-30)17-20-9-11-21(12-10-20)22-13-15-34-16-14-22;1-28-17-29(30,25(21-7-3-5-9-23(21)28)22-8-4-6-10-24(22)28)26(33)32-27-31-19(16-35-27)15-18-11-13-20(34-2)14-12-18;1-34-19-12-10-17(11-13-19)14-18-15-35-26(31-18)32-25(33)28(30)16-27(29)22-8-4-2-6-20(22)24(28)21-7-3-5-9-23(21)27/h3-16,18,28,30H,17H2,1-2H3,(H,36,37)(H,34,35,38);1-16,18,28H,17,19,34H2,(H,36,37,38);1-16,18,28H,17,19,33H2,(H2,35,36,37,39);1-16,18,28H,17,19,33H2,(H,35,36,38);3-14,16,25H,15,17,30H2,1-2H3,(H,31,32,33);2-13,15,24H,14,16,30H2,1H3,(H,31,32,33)
InChIKeyREFPPZLWAOFSRX-UHFFFAOYSA-N
MW3164.67 g/mol
LogP34.14
Rot. Bonds31

About 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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

15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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 (PubChem CID 160600692) has the molecular formula C186H154Cl2N24O13S5 and a molecular weight of 3164.67 g/mol. Its IUPAC name is 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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.

Molecular Properties

Compound Name15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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
PubChem CID160600692
Molecular FormulaC186H154Cl2N24O13S5
Molecular Weight3164.67 g/mol
Exact Mass3161.01
IUPAC Name15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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
SMILESCC(=O)NC1(C(=O)Nc2nc(-c3ccc(C)c4ccccc34)cs2)CC2c3ccccc3C1c1ccccc12.COc1ccc(Cc2csc(NC(=O)C3(N)CC4(C)c5ccccc5C3c3ccccc34)n2)cc1.COc1ccc(Cc2csc(NC(=O)C3(N)CC4(Cl)c5ccccc5C3c3ccccc34)n2)cc1.NC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2(Cl)c3ccccc3C1c1ccccc12.NC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.NC1(C(=O)Nc2ncc(Cc3ccc(-c4ccncc4)cc3)[nH]2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12
InChIInChI=1S/C33H27N3O2S.C32H25ClN4OS.C32H26N6O3.C32H25N5O3S.C29H27N3O2S.C28H24ClN3O2S/c1-19-15-16-25(22-10-4-3-9-21(19)22)29-18-39-32(34-29)35-31(38)33(36-20(2)37)17-28-23-11-5-7-13-26(23)30(33)27-14-8-6-12-24(27)28;33-31-19-32(34,28(24-5-1-3-7-26(24)31)25-6-2-4-8-27(25)31)29(38)37-30-36-23(18-39-30)17-20-9-11-21(12-10-20)22-13-15-35-16-14-22;33-31(19-32(38(40)41)26-7-3-1-5-24(26)28(31)25-6-2-4-8-27(25)32)29(39)37-30-35-18-23(36-30)17-20-9-11-21(12-10-20)22-13-15-34-16-14-22;33-31(19-32(37(39)40)26-7-3-1-5-24(26)28(31)25-6-2-4-8-27(25)32)29(38)36-30-35-23(18-41-30)17-20-9-11-21(12-10-20)22-13-15-34-16-14-22;1-28-17-29(30,25(21-7-3-5-9-23(21)28)22-8-4-6-10-24(22)28)26(33)32-27-31-19(16-35-27)15-18-11-13-20(34-2)14-12-18;1-34-19-12-10-17(11-13-19)14-18-15-35-26(31-18)32-25(33)28(30)16-27(29)22-8-4-2-6-20(22)24(28)21-7-3-5-9-23(21)27/h3-16,18,28,30H,17H2,1-2H3,(H,36,37)(H,34,35,38);1-16,18,28H,17,19,34H2,(H,36,37,38);1-16,18,28H,17,19,33H2,(H2,35,36,37,39);1-16,18,28H,17,19,33H2,(H,35,36,38);3-14,16,25H,15,17,30H2,1-2H3,(H,31,32,33);2-13,15,24H,14,16,30H2,1H3,(H,31,32,33)
InChIKeyREFPPZLWAOFSRX-UHFFFAOYSA-N
XLogP34.14
TPSA570.34 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003164.67
LogP ≤ 534.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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?
The IUPAC name of 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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 (CID 160600692) is 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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.
What is the SMILES notation for 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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?
The canonical SMILES for 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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 is CC(=O)NC1(C(=O)Nc2nc(-c3ccc(C)c4ccccc34)cs2)CC2c3ccccc3C1c1ccccc12.COc1ccc(Cc2csc(NC(=O)C3(N)CC4(C)c5ccccc5C3c3ccccc34)n2)cc1.COc1ccc(Cc2csc(NC(=O)C3(N)CC4(Cl)c5ccccc5C3c3ccccc34)n2)cc1.NC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2(Cl)c3ccccc3C1c1ccccc12.NC1(C(=O)Nc2nc(Cc3ccc(-c4ccncc4)cc3)cs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.NC1(C(=O)Nc2ncc(Cc3ccc(-c4ccncc4)cc3)[nH]2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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?
The InChIKey is REFPPZLWAOFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O2S.C32H25ClN4OS.C32H26N6O3.C32H25N5O3S.C29H27N3O2S.C28H24ClN3O2S/c1-19-15-16-25(22-10-4-3-9-21(19)22)29-18-39-32(34-29)35-31(38)33(36-20(2)37)17-28-23-11-5-7-13-26(23)30(33)27-14-8-6-12-24(27)28;33-31-19-32(34,28(24-5-1-3-7-26(24)31)25-6-2-4-8-27(25)31)29(38)37-30-36-23(18-39-30)17-20-9-11-21(12-10-20)22-13-15-35-16-14-22;33-31(19-32(38(40)41)26-7-3-1-5-24(26)28(31)25-6-2-4-8-27(25)32)29(39)37-30-35-18-23(36-30)17-20-9-11-21(12-10-20)22-13-15-34-16-14-22;33-31(19-32(37(39)40)26-7-3-1-5-24(26)28(31)25-6-2-4-8-27(25)32)29(38)36-30-35-23(18-41-30)17-20-9-11-21(12-10-20)22-13-15-34-16-14-22;1-28-17-29(30,25(21-7-3-5-9-23(21)28)22-8-4-6-10-24(22)28)26(33)32-27-31-19(16-35-27)15-18-11-13-20(34-2)14-12-18;1-34-19-12-10-17(11-13-19)14-18-15-35-26(31-18)32-25(33)28(30)16-27(29)22-8-4-2-6-20(22)24(28)21-7-3-5-9-23(21)27/h3-16,18,28,30H,17H2,1-2H3,(H,36,37)(H,34,35,38);1-16,18,28H,17,19,34H2,(H,36,37,38);1-16,18,28H,17,19,33H2,(H2,35,36,37,39);1-16,18,28H,17,19,33H2,(H,35,36,38);3-14,16,25H,15,17,30H2,1-2H3,(H,31,32,33);2-13,15,24H,14,16,30H2,1H3,(H,31,32,33).
What are the key properties of 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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?
15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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 has a molecular weight of 3164.67 g/mol, XLogP of 34.14, 31 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 15-acetamido-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-chloro-N-[4-[(4-methoxyphenyl)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-amino-8-chloro-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;15-amino-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-8-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-N-[5-[(4-pyridin-4-ylphenyl)methyl]-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide;15-amino-8-nitro-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 is sourced from PubChem (CID 160600692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).