(9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

C115H95Cl5N26S5 — CID 159486458

About (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

(9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene (PubChem CID 159486458) has the molecular formula C115H95Cl5N26S5 and a molecular weight of 2178.81 g/mol. Its IUPAC name is (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.

Molecular Properties

• Compound Name: (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
• PubChem CID: 159486458
• Molecular Formula: C115H95Cl5N26S5
• Molecular Weight: 2178.81 g/mol
• Exact Mass: 2174.53
• IUPAC Name: (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
• SMILES: Cc1c(C#CC2=CCN=C2)sc2c1C(c1ccc(Cl)cc1)=NCc1nnc(C)n1-2.Cc1c(C#CC2=CCN=C2)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](C)c1nnc(C)n1-2.Cc1c(C#CC2CCCCC2)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](C)c1nnc(C)n1-2.Cc1c(C#Cc2cnn(C)c2)sc2c1C(c1ccc(Cl)cc1)=NCc1nnc(C)n1-2.Cc1c(C#Cc2cnn(C)c2)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](C)c1nnc(C)n1-2
• InChI: InChI=1S/C25H25ClN4S.C23H19ClN6S.C23H18ClN5S.C22H17ClN6S.C22H16ClN5S/c1-15-21(14-9-18-7-5-4-6-8-18)31-25-22(15)23(19-10-12-20(26)13-11-19)27-16(2)24-29-28-17(3)30(24)25;1-13-19(10-5-16-11-25-29(4)12-16)31-23-20(13)21(17-6-8-18(24)9-7-17)26-14(2)22-28-27-15(3)30(22)23;1-13-19(9-4-16-10-11-25-12-16)30-23-20(13)21(17-5-7-18(24)8-6-17)26-14(2)22-28-27-15(3)29(22)23;1-13-18(9-4-15-10-25-28(3)12-15)30-22-20(13)21(16-5-7-17(23)8-6-16)24-11-19-27-26-14(2)29(19)22;1-13-18(8-3-15-9-10-24-11-15)29-22-20(13)21(16-4-6-17(23)7-5-16)25-12-19-27-26-14(2)28(19)22/h10-13,16,18H,4-8H2,1-3H3;6-9,11-12,14H,1-4H3;5-8,10,12,14H,11H2,1-3H3;5-8,10,12H,11H2,1-3H3;4-7,9,11H,10,12H2,1-2H3/t16-;2*14-;;/m000../s1
• InChIKey: LXQLLVKKCYAZDZ-RBYAHRBSSA-N
• XLogP: 24.36
• TPSA: 275.71 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 5
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.81
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

The IUPAC name of (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene (CID 159486458) is (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.

What is the SMILES notation for (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

The canonical SMILES for (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene is Cc1c(C#CC2=CCN=C2)sc2c1C(c1ccc(Cl)cc1)=NCc1nnc(C)n1-2.Cc1c(C#CC2=CCN=C2)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](C)c1nnc(C)n1-2.Cc1c(C#CC2CCCCC2)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](C)c1nnc(C)n1-2.Cc1c(C#Cc2cnn(C)c2)sc2c1C(c1ccc(Cl)cc1)=NCc1nnc(C)n1-2.Cc1c(C#Cc2cnn(C)c2)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](C)c1nnc(C)n1-2.

What is the InChIKey of (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

The InChIKey is LXQLLVKKCYAZDZ-RBYAHRBSSA-N. The full InChI is InChI=1S/C25H25ClN4S.C23H19ClN6S.C23H18ClN5S.C22H17ClN6S.C22H16ClN5S/c1-15-21(14-9-18-7-5-4-6-8-18)31-25-22(15)23(19-10-12-20(26)13-11-19)27-16(2)24-29-28-17(3)30(24)25;1-13-19(10-5-16-11-25-29(4)12-16)31-23-20(13)21(17-6-8-18(24)9-7-17)26-14(2)22-28-27-15(3)30(22)23;1-13-19(9-4-16-10-11-25-12-16)30-23-20(13)21(17-5-7-18(24)8-6-17)26-14(2)22-28-27-15(3)29(22)23;1-13-18(9-4-15-10-25-28(3)12-15)30-22-20(13)21(16-5-7-17(23)8-6-16)24-11-19-27-26-14(2)29(19)22;1-13-18(8-3-15-9-10-24-11-15)29-22-20(13)21(16-4-6-17(23)7-5-16)25-12-19-27-26-14(2)28(19)22/h10-13,16,18H,4-8H2,1-3H3;6-9,11-12,14H,1-4H3;5-8,10,12,14H,11H2,1-3H3;5-8,10,12H,11H2,1-3H3;4-7,9,11H,10,12H2,1-2H3/t16-;2*14-;;/m000../s1.

What are the key properties of (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

(9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene has a molecular weight of 2178.81 g/mol, XLogP of 24.36, 5 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (9S)-7-(4-chlorophenyl)-4-(2-cyclohexylethynyl)-5,9,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;7-(4-chlorophenyl)-5,13-dimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(2H-pyrrol-4-yl)ethynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene is sourced from PubChem (CID 159486458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).