4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one

C96H79F3N14O10S3 — CID 159831567

IUPAC4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
SMILESCCc1cc2c(s1)N=C1N(c3ccc(C#N)cc3)CC[C@@]1(O)C2=O.Cc1cc2c(cc1C(F)(F)F)N=C1N(c3ccc(C#N)cc3)CC[C@@]1(O)C2=O.Cc1cc2c(s1)C(=O)[C@]1(O)CCN(c3ccc(C#N)c(C)c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.O=C1c2c(sc3c2CCCC3)N=C2N(c3ccccc3)CC[C@@]12O
InChIInChI=1S/C21H17N3O2.C20H14F3N3O2.C19H18N2O2S.2C18H15N3O2S/c1-13-4-6-18-16(11-13)19(25)21(26)8-10-24(20(21)23-18)15-5-7-17-14(12-15)3-2-9-22-17;1-11-8-14-16(9-15(11)20(21,22)23)25-18-19(28,17(14)27)6-7-26(18)13-4-2-12(10-24)3-5-13;22-16-15-13-8-4-5-9-14(13)24-17(15)20-18-19(16,23)10-11-21(18)12-6-2-1-3-7-12;1-10-7-13(4-3-12(10)9-19)21-6-5-18(23)16(22)15-14(20-17(18)21)8-11(2)24-15;1-2-13-9-14-15(22)18(23)7-8-21(17(18)20-16(14)24-13)12-5-3-11(10-19)4-6-12/h2-7,9,11-12,26H,8,10H2,1H3;2-5,8-9,28H,6-7H2,1H3;1-3,6-7,23H,4-5,8-11H2;3-4,7-8,23H,5-6H2,1-2H3;3-6,9,23H,2,7-8H2,1H3/t21-;2*19-;2*18-/m11111/s1
InChIKeyNNNITAWGPKNVLV-DIHYFXSRSA-N
MW1741.97 g/mol
LogP16.81
Rot. Bonds6

About 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one

4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one (PubChem CID 159831567) has the molecular formula C96H79F3N14O10S3 and a molecular weight of 1741.97 g/mol. Its IUPAC name is 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one.

Molecular Properties

Compound Name4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
PubChem CID159831567
Molecular FormulaC96H79F3N14O10S3
Molecular Weight1741.97 g/mol
Exact Mass1740.52
IUPAC Name4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one
SMILESCCc1cc2c(s1)N=C1N(c3ccc(C#N)cc3)CC[C@@]1(O)C2=O.Cc1cc2c(cc1C(F)(F)F)N=C1N(c3ccc(C#N)cc3)CC[C@@]1(O)C2=O.Cc1cc2c(s1)C(=O)[C@]1(O)CCN(c3ccc(C#N)c(C)c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.O=C1c2c(sc3c2CCCC3)N=C2N(c3ccccc3)CC[C@@]12O
InChIInChI=1S/C21H17N3O2.C20H14F3N3O2.C19H18N2O2S.2C18H15N3O2S/c1-13-4-6-18-16(11-13)19(25)21(26)8-10-24(20(21)23-18)15-5-7-17-14(12-15)3-2-9-22-17;1-11-8-14-16(9-15(11)20(21,22)23)25-18-19(28,17(14)27)6-7-26(18)13-4-2-12(10-24)3-5-13;22-16-15-13-8-4-5-9-14(13)24-17(15)20-18-19(16,23)10-11-21(18)12-6-2-1-3-7-12;1-10-7-13(4-3-12(10)9-19)21-6-5-18(23)16(22)15-14(20-17(18)21)8-11(2)24-15;1-2-13-9-14-15(22)18(23)7-8-21(17(18)20-16(14)24-13)12-5-3-11(10-19)4-6-12/h2-7,9,11-12,26H,8,10H2,1H3;2-5,8-9,28H,6-7H2,1H3;1-3,6-7,23H,4-5,8-11H2;3-4,7-8,23H,5-6H2,1-2H3;3-6,9,23H,2,7-8H2,1H3/t21-;2*19-;2*18-/m11111/s1
InChIKeyNNNITAWGPKNVLV-DIHYFXSRSA-N
XLogP16.81
TPSA348.76 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds6
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.97
LogP ≤ 516.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one with MolForge

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Related Compounds

(3aS)-3a-hydroxy-1-isoquinolin-7-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-(2-methoxy-4-pyridinyl)-6-methyl-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-quinolin-7-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile
CID 158346348
(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methylquinolin-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;6-[(3aS)-3a-hydroxy-6,7-dimethyl-4-oxo-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]quinoline-2-carbonitrile;(3aS)-1-(2-aminoquinolin-6-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 159359772
(3aS)-3a-hydroxy-6,7-dimethyl-1-(5,6,7,8-tetrahydroquinolin-3-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(2,3-dimethylquinolin-6-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(2-ethyl-1,3-benzothiazol-5-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-9-hydroxy-5-methyl-12-(2-methylquinolin-6-yl)-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 160023800

Frequently Asked Questions

What is the IUPAC name of 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one?
The IUPAC name of 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one (CID 159831567) is 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one.
What is the SMILES notation for 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one?
The canonical SMILES for 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one is CCc1cc2c(s1)N=C1N(c3ccc(C#N)cc3)CC[C@@]1(O)C2=O.Cc1cc2c(cc1C(F)(F)F)N=C1N(c3ccc(C#N)cc3)CC[C@@]1(O)C2=O.Cc1cc2c(s1)C(=O)[C@]1(O)CCN(c3ccc(C#N)c(C)c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.O=C1c2c(sc3c2CCCC3)N=C2N(c3ccccc3)CC[C@@]12O.
What is the InChIKey of 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one?
The InChIKey is NNNITAWGPKNVLV-DIHYFXSRSA-N. The full InChI is InChI=1S/C21H17N3O2.C20H14F3N3O2.C19H18N2O2S.2C18H15N3O2S/c1-13-4-6-18-16(11-13)19(25)21(26)8-10-24(20(21)23-18)15-5-7-17-14(12-15)3-2-9-22-17;1-11-8-14-16(9-15(11)20(21,22)23)25-18-19(28,17(14)27)6-7-26(18)13-4-2-12(10-24)3-5-13;22-16-15-13-8-4-5-9-14(13)24-17(15)20-18-19(16,23)10-11-21(18)12-6-2-1-3-7-12;1-10-7-13(4-3-12(10)9-19)21-6-5-18(23)16(22)15-14(20-17(18)21)8-11(2)24-15;1-2-13-9-14-15(22)18(23)7-8-21(17(18)20-16(14)24-13)12-5-3-11(10-19)4-6-12/h2-7,9,11-12,26H,8,10H2,1H3;2-5,8-9,28H,6-7H2,1H3;1-3,6-7,23H,4-5,8-11H2;3-4,7-8,23H,5-6H2,1-2H3;3-6,9,23H,2,7-8H2,1H3/t21-;2*19-;2*18-/m11111/s1.
What are the key properties of 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one?
4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one has a molecular weight of 1741.97 g/mol, XLogP of 16.81, 6 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS)-3a-hydroxy-6-methyl-4-oxo-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl]benzonitrile;(3aS)-3a-hydroxy-6-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;4-[(9S)-5-ethyl-9-hydroxy-8-oxo-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-12-yl]benzonitrile;4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]-2-methylbenzonitrile;(15S)-15-hydroxy-12-phenyl-8-thia-10,12-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one is sourced from PubChem (CID 159831567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).