(2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide

C130H142F5N31O7 — CID 158976708

About (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide

(2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide (PubChem CID 158976708) has the molecular formula C130H142F5N31O7 and a molecular weight of 2345.77 g/mol. Its IUPAC name is (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide.

Molecular Properties

• Compound Name: (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide
• PubChem CID: 158976708
• Molecular Formula: C130H142F5N31O7
• Molecular Weight: 2345.77 g/mol
• Exact Mass: 2344.16
• IUPAC Name: (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide
• SMILES: CC(=O)c1ccc(CCNC2=C(/C(N)=N/c3ccccc3)C(=O)N(C)C3=N[C@@H]4CCC[C@@H]4N32)cc1.CC(CN(C)C)Cn1nc(Nc2ccccc2)c2c1N1C(=N[C@@H]3CCC[C@@H]31)N(C)C2=O.CN1C(=O)C(/C(N)=N/c2ccccc2)=C(NCC#Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(C(=O)C(C)(F)F)c(F)c3)c2N2C1=N[C@@H]1CCC[C@@H]12.[H]/N=c1/c(=C(\NCCc2ccc(C(C)(F)F)cc2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2
• InChI: InChI=1S/C27H25F3N6O2.C27H30F2N6O.C27H30N6O2.C26H26N6O.C23H31N7O/c1-27(29,30)22(37)17-12-11-15(13-18(17)28)14-35-24-21(23(33-35)31-16-7-4-3-5-8-16)25(38)34(2)26-32-19-9-6-10-20(19)36(24)26;1-27(28,29)18-13-11-17(12-14-18)15-16-31-24(32-19-7-4-3-5-8-19)22-23(30)35-21-10-6-9-20(21)33-26(35)34(2)25(22)36;1-17(34)19-13-11-18(12-14-19)15-16-29-25-23(24(28)30-20-7-4-3-5-8-20)26(35)32(2)27-31-21-9-6-10-22(21)33(25)27;1-31-25(33)22(23(27)29-19-13-6-3-7-14-19)24(28-17-9-12-18-10-4-2-5-11-18)32-21-16-8-15-20(21)30-26(31)32;1-15(13-27(2)3)14-29-21-19(20(26-29)24-16-9-6-5-7-10-16)22(31)28(4)23-25-17-11-8-12-18(17)30(21)23/h3-5,7-8,11-13,19-20H,6,9-10,14H2,1-2H3,(H,31,33);3-5,7-8,11-14,20-21,30-32H,6,9-10,15-16H2,1-2H3;3-5,7-8,11-14,21-22,29H,6,9-10,15-16H2,1-2H3,(H2,28,30);2-7,10-11,13-14,20-21,28H,8,15-17H2,1H3,(H2,27,29);5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,24,26)/b;24-22-,30-23-;;;/t19-,20+;20-,21+;21-,22+;20-,21+;15?,17-,18+/m11111/s1
• InChIKey: JOMFNRCGKHZORN-ASEMWPRQSA-N
• XLogP: 15.94
• TPSA: 428.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.77
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?

The IUPAC name of (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide (CID 158976708) is (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide.

What is the SMILES notation for (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?

The canonical SMILES for (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide is CC(=O)c1ccc(CCNC2=C(/C(N)=N/c3ccccc3)C(=O)N(C)C3=N[C@@H]4CCC[C@@H]4N32)cc1.CC(CN(C)C)Cn1nc(Nc2ccccc2)c2c1N1C(=N[C@@H]3CCC[C@@H]31)N(C)C2=O.CN1C(=O)C(/C(N)=N/c2ccccc2)=C(NCC#Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(C(=O)C(C)(F)F)c(F)c3)c2N2C1=N[C@@H]1CCC[C@@H]12.[H]/N=c1/c(=C(\NCCc2ccc(C(C)(F)F)cc2)Nc2ccccc2)c(=O)n(C)c2n1[C@H]1CCC[C@H]1N=2.

What is the InChIKey of (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?

The InChIKey is JOMFNRCGKHZORN-ASEMWPRQSA-N. The full InChI is InChI=1S/C27H25F3N6O2.C27H30F2N6O.C27H30N6O2.C26H26N6O.C23H31N7O/c1-27(29,30)22(37)17-12-11-15(13-18(17)28)14-35-24-21(23(33-35)31-16-7-4-3-5-8-16)25(38)34(2)26-32-19-9-6-10-20(19)36(24)26;1-27(28,29)18-13-11-17(12-14-18)15-16-31-24(32-19-7-4-3-5-8-19)22-23(30)35-21-10-6-9-20(21)33-26(35)34(2)25(22)36;1-17(34)19-13-11-18(12-14-19)15-16-29-25-23(24(28)30-20-7-4-3-5-8-20)26(35)32(2)27-31-21-9-6-10-22(21)33(25)27;1-31-25(33)22(23(27)29-19-13-6-3-7-14-19)24(28-17-9-12-18-10-4-2-5-11-18)32-21-16-8-15-20(21)30-26(31)32;1-15(13-27(2)3)14-29-21-19(20(26-29)24-16-9-6-5-7-10-16)22(31)28(4)23-25-17-11-8-12-18(17)30(21)23/h3-5,7-8,11-13,19-20H,6,9-10,14H2,1-2H3,(H,31,33);3-5,7-8,11-14,20-21,30-32H,6,9-10,15-16H2,1-2H3;3-5,7-8,11-14,21-22,29H,6,9-10,15-16H2,1-2H3,(H2,28,30);2-7,10-11,13-14,20-21,28H,8,15-17H2,1H3,(H2,27,29);5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,24,26)/b;24-22-,30-23-;;;/t19-,20+;20-,21+;21-,22+;20-,21+;15?,17-,18+/m11111/s1.

What are the key properties of (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide?

(2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide has a molecular weight of 2345.77 g/mol, XLogP of 15.94, 30 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-12-[2-(4-acetylphenyl)ethylamino]-9-methyl-10-oxo-N'-phenyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide;(2S,6R,11Z)-11-[anilino-[2-[4-(1,1-difluoroethyl)phenyl]ethylamino]methylidene]-12-imino-9-methyl-1,7,9-triazatricyclo[6.4.0.02,6]dodec-7-en-10-one;(11R,15S)-5-anilino-3-[[4-(2,2-difluoropropanoyl)-3-fluorophenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-3-[3-(dimethylamino)-2-methylpropyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(2S,6R)-9-methyl-10-oxo-N'-phenyl-12-(3-phenylprop-2-ynylamino)-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-7,11-diene-11-carboximidamide is sourced from PubChem (CID 158976708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).