(11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one

C137H133F5N26O10S6 — CID 160547150

About (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one

(11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one (PubChem CID 160547150) has the molecular formula C137H133F5N26O10S6 and a molecular weight of 2591.13 g/mol. Its IUPAC name is (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one.

Molecular Properties

• Compound Name: (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
• PubChem CID: 160547150
• Molecular Formula: C137H133F5N26O10S6
• Molecular Weight: 2591.13 g/mol
• Exact Mass: 2588.89
• IUPAC Name: (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
• SMILES: C=S(C)(=O)c1ccc(Cn2nc3c(c2Sc2ccccc2)C(=O)N(C)C2=NC(C)(C)CN23)cc1.CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(C(C)(F)F)cc2)c1Sc1ccc(O)cc1.CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2S(=O)(=O)c2ccc(F)cc2)N2C1=NC1CCCC12.CN1C(=O)c2c(nn(Cc3ccc(-c4ccccn4)cc3)c2S(=O)c2ccccc2)N2C1=N[C@H]1CCCC[C@H]12.CN1C(=O)c2c(nn(Cc3ccc(C(C)(F)F)cc3)c2Sc2ccccc2)N2C1=N[C@H]1CCC[C@H]12
• InChI: InChI=1S/C30H26FN5O3S.C30H28N6O2S.C26H27F2N5O2S.C26H25F2N5OS.C25H27N5O2S2/c1-34-28(37)26-27(36-25-9-5-8-24(25)32-30(34)36)33-35(29(26)40(38,39)23-16-14-22(31)15-17-23)18-19-10-12-21(13-11-19)20-6-3-2-4-7-20;1-34-28(37)26-27(36-25-13-6-5-12-24(25)32-30(34)36)33-35(29(26)39(38)22-9-3-2-4-10-22)19-20-14-16-21(17-15-20)23-11-7-8-18-31-23;1-15(2)20-14-32-22-21(23(35)31(4)25(32)29-20)24(36-19-11-9-18(34)10-12-19)33(30-22)13-16-5-7-17(8-6-16)26(3,27)28;1-26(27,28)17-13-11-16(12-14-17)15-32-24(35-18-7-4-3-5-8-18)21-22(30-32)33-20-10-6-9-19(20)29-25(33)31(2)23(21)34;1-25(2)16-29-21-20(22(31)28(3)24(29)26-25)23(33-18-9-7-6-8-10-18)30(27-21)15-17-11-13-19(14-12-17)34(4,5)32/h2-4,6-7,10-17,24-25H,5,8-9,18H2,1H3;2-4,7-11,14-18,24-25H,5-6,12-13,19H2,1H3;5-12,15,20,34H,13-14H2,1-4H3;3-5,7-8,11-14,19-20H,6,9-10,15H2,1-2H3;6-14H,4,15-16H2,1-3,5H3/t;24-,25+,39?;20-;19-,20+;/m.000./s1
• InChIKey: QXORZZPVEVLGIB-KHGYABBKSA-N
• XLogP: 23.88
• TPSA: 370.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2591.13
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?

The IUPAC name of (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one (CID 160547150) is (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one.

What is the SMILES notation for (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?

The canonical SMILES for (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one is C=S(C)(=O)c1ccc(Cn2nc3c(c2Sc2ccccc2)C(=O)N(C)C2=NC(C)(C)CN23)cc1.CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(C(C)(F)F)cc2)c1Sc1ccc(O)cc1.CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2S(=O)(=O)c2ccc(F)cc2)N2C1=NC1CCCC12.CN1C(=O)c2c(nn(Cc3ccc(-c4ccccn4)cc3)c2S(=O)c2ccccc2)N2C1=N[C@H]1CCCC[C@H]12.CN1C(=O)c2c(nn(Cc3ccc(C(C)(F)F)cc3)c2Sc2ccccc2)N2C1=N[C@H]1CCC[C@H]12.

What is the InChIKey of (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?

The InChIKey is QXORZZPVEVLGIB-KHGYABBKSA-N. The full InChI is InChI=1S/C30H26FN5O3S.C30H28N6O2S.C26H27F2N5O2S.C26H25F2N5OS.C25H27N5O2S2/c1-34-28(37)26-27(36-25-9-5-8-24(25)32-30(34)36)33-35(29(26)40(38,39)23-16-14-22(31)15-17-23)18-19-10-12-21(13-11-19)20-6-3-2-4-7-20;1-34-28(37)26-27(36-25-13-6-5-12-24(25)32-30(34)36)33-35(29(26)39(38)22-9-3-2-4-10-22)19-20-14-16-21(17-15-20)23-11-7-8-18-31-23;1-15(2)20-14-32-22-21(23(35)31(4)25(32)29-20)24(36-19-11-9-18(34)10-12-19)33(30-22)13-16-5-7-17(8-6-16)26(3,27)28;1-26(27,28)17-13-11-16(12-14-17)15-32-24(35-18-7-4-3-5-8-18)21-22(30-32)33-20-10-6-9-19(20)29-25(33)31(2)23(21)34;1-25(2)16-29-21-20(22(31)28(3)24(29)26-25)23(33-18-9-7-6-8-10-18)30(27-21)15-17-11-13-19(14-12-17)34(4,5)32/h2-4,6-7,10-17,24-25H,5,8-9,18H2,1H3;2-4,7-11,14-18,24-25H,5-6,12-13,19H2,1H3;5-12,15,20,34H,13-14H2,1-4H3;3-5,7-8,11-14,19-20H,6,9-10,15H2,1-2H3;6-14H,4,15-16H2,1-3,5H3/t;24-,25+,39?;20-;19-,20+;/m.000./s1.

What are the key properties of (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?

(11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one has a molecular weight of 2591.13 g/mol, XLogP of 23.88, 26 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (11S,16R)-5-(benzenesulfinyl)-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,9-trien-7-one;(11R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-hydroxyphenyl)sulfanyl-8-methyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11S,15R)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-8-methyl-5-phenylsulfanyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;5-(4-fluorophenyl)sulfonyl-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-5-phenylsulfanyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one is sourced from PubChem (CID 160547150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).