5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

C168H168Cl4N40O12 — CID 157192980

About 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 157192980) has the molecular formula C168H168Cl4N40O12 and a molecular weight of 3081.27 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
• PubChem CID: 157192980
• Molecular Formula: C168H168Cl4N40O12
• Molecular Weight: 3081.27 g/mol
• Exact Mass: 3077.25
• IUPAC Name: 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
• SMILES: CN(C)CCNC(=O)c1cc2cc3cc(Cl)ccc3nc2n2ccnc12.CN1CCCN(C(=O)c2cc3cc4cc(Cl)ccc4nc3n3ccnc23)CC1.COc1ccc2nc3c(cc(C(=O)N4CCCN(C)CC4)c4nccn43)cc2c1.COc1ccc2nc3c(cc(C(=O)N4C[C@@H](C)N[C@@H](C)C4)c4nccn43)cc2c1.COc1ccc2nc3c(cc(C(=O)NCCN(C)C)c4nccn43)cc2c1.COc1ccc2nc3c(cc(C(=O)NCCN4CCCC4)c4nccn43)cc2c1.C[C@@H]1CN(C(=O)c2cc3cc4cc(Cl)ccc4nc3n3ccnc23)C[C@H](C)N1.O=C(NCCN1CCCC1)c1cc2cc3cc(Cl)ccc3nc2n2ccnc12
• InChI: InChI=1S/3C22H23N5O2.3C21H20ClN5O.C20H21N5O2.C19H18ClN5O/c1-13-11-26(12-14(2)24-13)22(28)18-10-16-8-15-9-17(29-3)4-5-19(15)25-20(16)27-7-6-23-21(18)27;1-25-7-3-8-26(11-10-25)22(28)18-14-16-12-15-13-17(29-2)4-5-19(15)24-20(16)27-9-6-23-21(18)27;1-29-17-4-5-19-15(13-17)12-16-14-18(21-23-7-11-27(21)20(16)25-19)22(28)24-6-10-26-8-2-3-9-26;1-12-10-26(11-13(2)24-12)21(28)17-9-15-7-14-8-16(22)3-4-18(14)25-19(15)27-6-5-23-20(17)27;1-25-6-2-7-26(10-9-25)21(28)17-13-15-11-14-12-16(22)3-4-18(14)24-19(15)27-8-5-23-20(17)27;22-16-3-4-18-14(12-16)11-15-13-17(20-23-6-10-27(20)19(15)25-18)21(28)24-5-9-26-7-1-2-8-26;1-24(2)8-6-22-20(26)16-12-14-10-13-11-15(27-3)4-5-17(13)23-18(14)25-9-7-21-19(16)25;1-24(2)7-5-22-19(26)15-11-13-9-12-10-14(20)3-4-16(12)23-17(13)25-8-6-21-18(15)25/h4-10,13-14,24H,11-12H2,1-3H3;4-6,9,12-14H,3,7-8,10-11H2,1-2H3;4-5,7,11-14H,2-3,6,8-10H2,1H3,(H,24,28);3-9,12-13,24H,10-11H2,1-2H3;3-5,8,11-13H,2,6-7,9-10H2,1H3;3-4,6,10-13H,1-2,5,7-9H2,(H,24,28);4-5,7,9-12H,6,8H2,1-3H3,(H,22,26);3-4,6,8-11H,5,7H2,1-2H3,(H,22,26)/t13-,14+;;;12-,13+
• InChIKey: APXMYAYKLVFHHX-XGDHVIDLSA-N
• XLogP: 24.37
• TPSA: 519.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3081.27
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?

The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 157192980) is 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?

The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN(C)CCNC(=O)c1cc2cc3cc(Cl)ccc3nc2n2ccnc12.CN1CCCN(C(=O)c2cc3cc4cc(Cl)ccc4nc3n3ccnc23)CC1.COc1ccc2nc3c(cc(C(=O)N4CCCN(C)CC4)c4nccn43)cc2c1.COc1ccc2nc3c(cc(C(=O)N4C[C@@H](C)N[C@@H](C)C4)c4nccn43)cc2c1.COc1ccc2nc3c(cc(C(=O)NCCN(C)C)c4nccn43)cc2c1.COc1ccc2nc3c(cc(C(=O)NCCN4CCCC4)c4nccn43)cc2c1.C[C@@H]1CN(C(=O)c2cc3cc4cc(Cl)ccc4nc3n3ccnc23)C[C@H](C)N1.O=C(NCCN1CCCC1)c1cc2cc3cc(Cl)ccc3nc2n2ccnc12.

What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?

The InChIKey is APXMYAYKLVFHHX-XGDHVIDLSA-N. The full InChI is InChI=1S/3C22H23N5O2.3C21H20ClN5O.C20H21N5O2.C19H18ClN5O/c1-13-11-26(12-14(2)24-13)22(28)18-10-16-8-15-9-17(29-3)4-5-19(15)25-20(16)27-7-6-23-21(18)27;1-25-7-3-8-26(11-10-25)22(28)18-14-16-12-15-13-17(29-2)4-5-19(15)24-20(16)27-9-6-23-21(18)27;1-29-17-4-5-19-15(13-17)12-16-14-18(21-23-7-11-27(21)20(16)25-19)22(28)24-6-10-26-8-2-3-9-26;1-12-10-26(11-13(2)24-12)21(28)17-9-15-7-14-8-16(22)3-4-18(14)25-19(15)27-6-5-23-20(17)27;1-25-6-2-7-26(10-9-25)21(28)17-13-15-11-14-12-16(22)3-4-18(14)24-19(15)27-8-5-23-20(17)27;22-16-3-4-18-14(12-16)11-15-13-17(20-23-6-10-27(20)19(15)25-18)21(28)24-5-9-26-7-1-2-8-26;1-24(2)8-6-22-20(26)16-12-14-10-13-11-15(27-3)4-5-17(13)23-18(14)25-9-7-21-19(16)25;1-24(2)7-5-22-19(26)15-11-13-9-12-10-14(20)3-4-16(12)23-17(13)25-8-6-21-18(15)25/h4-10,13-14,24H,11-12H2,1-3H3;4-6,9,12-14H,3,7-8,10-11H2,1-2H3;4-5,7,11-14H,2-3,6,8-10H2,1H3,(H,24,28);3-9,12-13,24H,10-11H2,1-2H3;3-5,8,11-13H,2,6-7,9-10H2,1H3;3-4,6,10-13H,1-2,5,7-9H2,(H,24,28);4-5,7,9-12H,6,8H2,1-3H3,(H,22,26);3-4,6,8-11H,5,7H2,1-2H3,(H,22,26)/t13-,14+;;;12-,13+;;;;.

What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?

5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 3081.27 g/mol, XLogP of 24.37, 24 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;5-chloro-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone;(5-chloro-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)methanone;5-methoxy-N-(2-pyrrolidin-1-ylethyl)-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaene-16-carboxamide;(5-methoxy-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 157192980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).