5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate

C152H140N40O29 — CID 159416249

IUPAC5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(N)ccc5o4)ccc3[nH]2)cc1.CNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(NC(=O)CN)ccc5o4)ccc3[nH]2)cc1.CNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(NC(=O)CN=C(N)N)ccc5o4)ccc3[nH]2)cc1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN=C(N)N)ccc4o3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN)ccc4o3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN=C(N)N)ccc4o3)ccc2[nH]1
InChIInChI=1S/C29H25N7O6.C28H23N5O6.C26H20N4O5.C24H26N10O4.C23H24N8O4.C22H22N6O4/c1-32-26(38)15-2-6-20(7-3-15)41-28(40)22-12-16-10-19(4-8-21(16)36-22)35-27(39)24-13-17-11-18(5-9-23(17)42-24)34-25(37)14-33-29(30)31;1-30-26(35)15-2-6-20(7-3-15)38-28(37)22-12-16-10-19(4-8-21(16)33-22)32-27(36)24-13-17-11-18(31-25(34)14-29)5-9-23(17)39-24;1-28-24(31)14-2-6-19(7-3-14)34-26(33)21-12-15-11-18(5-8-20(15)30-21)29-25(32)23-13-16-10-17(27)4-9-22(16)35-23;25-23(26)30-6-5-29-21(36)17-9-12-7-15(1-3-16(12)34-17)33-22(37)19-10-13-8-14(2-4-18(13)38-19)32-20(35)11-31-24(27)28;24-5-6-27-21(33)17-9-12-7-15(1-3-16(12)31-17)30-22(34)19-10-13-8-14(2-4-18(13)35-19)29-20(32)11-28-23(25)26;23-5-6-25-21(30)17-9-12-7-15(1-3-16(12)28-17)27-22(31)19-10-13-8-14(26-20(29)11-24)2-4-18(13)32-19/h2-13,36H,14H2,1H3,(H,32,38)(H,34,37)(H,35,39)(H4,30,31,33);2-13,33H,14,29H2,1H3,(H,30,35)(H,31,34)(H,32,36);2-13,30H,27H2,1H3,(H,28,31)(H,29,32);1-4,7-10,34H,5-6,11H2,(H,29,36)(H,32,35)(H,33,37)(H4,25,26,30)(H4,27,28,31);1-4,7-10,31H,5-6,11,24H2,(H,27,33)(H,29,32)(H,30,34)(H4,25,26,28);1-4,7-10,28H,5-6,11,23-24H2,(H,25,30)(H,26,29)(H,27,31)
InChIKeyLPEVMJKYAKEHHO-UHFFFAOYSA-N
MW2991.04 g/mol
LogP14.13
Rot. Bonds44

About 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate

5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate (PubChem CID 159416249) has the molecular formula C152H140N40O29 and a molecular weight of 2991.04 g/mol. Its IUPAC name is 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate
PubChem CID159416249
Molecular FormulaC152H140N40O29
Molecular Weight2991.04 g/mol
Exact Mass2989.07
IUPAC Name5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate
SMILESCNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(N)ccc5o4)ccc3[nH]2)cc1.CNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(NC(=O)CN)ccc5o4)ccc3[nH]2)cc1.CNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(NC(=O)CN=C(N)N)ccc5o4)ccc3[nH]2)cc1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN=C(N)N)ccc4o3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN)ccc4o3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN=C(N)N)ccc4o3)ccc2[nH]1
InChIInChI=1S/C29H25N7O6.C28H23N5O6.C26H20N4O5.C24H26N10O4.C23H24N8O4.C22H22N6O4/c1-32-26(38)15-2-6-20(7-3-15)41-28(40)22-12-16-10-19(4-8-21(16)36-22)35-27(39)24-13-17-11-18(5-9-23(17)42-24)34-25(37)14-33-29(30)31;1-30-26(35)15-2-6-20(7-3-15)38-28(37)22-12-16-10-19(4-8-21(16)33-22)32-27(36)24-13-17-11-18(31-25(34)14-29)5-9-23(17)39-24;1-28-24(31)14-2-6-19(7-3-14)34-26(33)21-12-15-11-18(5-8-20(15)30-21)29-25(32)23-13-16-10-17(27)4-9-22(16)35-23;25-23(26)30-6-5-29-21(36)17-9-12-7-15(1-3-16(12)34-17)33-22(37)19-10-13-8-14(2-4-18(13)38-19)32-20(35)11-31-24(27)28;24-5-6-27-21(33)17-9-12-7-15(1-3-16(12)31-17)30-22(34)19-10-13-8-14(2-4-18(13)35-19)29-20(32)11-28-23(25)26;23-5-6-25-21(30)17-9-12-7-15(1-3-16(12)28-17)27-22(31)19-10-13-8-14(26-20(29)11-24)2-4-18(13)32-19/h2-13,36H,14H2,1H3,(H,32,38)(H,34,37)(H,35,39)(H4,30,31,33);2-13,33H,14,29H2,1H3,(H,30,35)(H,31,34)(H,32,36);2-13,30H,27H2,1H3,(H,28,31)(H,29,32);1-4,7-10,34H,5-6,11H2,(H,29,36)(H,32,35)(H,33,37)(H4,25,26,30)(H4,27,28,31);1-4,7-10,31H,5-6,11,24H2,(H,27,33)(H,29,32)(H,30,34)(H4,25,26,28);1-4,7-10,28H,5-6,11,23-24H2,(H,25,30)(H,26,29)(H,27,31)
InChIKeyLPEVMJKYAKEHHO-UHFFFAOYSA-N
XLogP14.13
TPSA1134.88 Ų
H-Bond Donors36
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.04
LogP ≤ 514.13
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate with MolForge

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Related Compounds

N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-4,5-dihydro-1H-indole-2-carboxamide
CID 142877528
2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747054
5-N-[2-(diaminomethylideneamino)ethyl]-2-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1-benzothiophen-5-yl]-1H-indole-2,5-dicarboxamide
CID 10256947
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
5-N-(2-aminoethyl)-2-N-[2-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 142877490
5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 10461697
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-(2-aminoethyl)-2-[[[2-[3-(diaminomethylideneamino)propylcarbamoyl]-1H-indol-6-yl]amino]methyl]-1H-indole-5-carboxamide
CID 142877506
2-N,5-N-bis[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 20755652
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
N-[5-(2-aminoethylcarbamoyl)-1-(2-methylpropyl)pyrrol-3-yl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide
CID 86591608
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate (CID 159416249) is 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate is CNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(N)ccc5o4)ccc3[nH]2)cc1.CNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(NC(=O)CN)ccc5o4)ccc3[nH]2)cc1.CNC(=O)c1ccc(OC(=O)c2cc3cc(NC(=O)c4cc5cc(NC(=O)CN=C(N)N)ccc5o4)ccc3[nH]2)cc1.NC(N)=NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN=C(N)N)ccc4o3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN)ccc4o3)ccc2[nH]1.NCCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)CN=C(N)N)ccc4o3)ccc2[nH]1.
What is the InChIKey of 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate?
The InChIKey is LPEVMJKYAKEHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O6.C28H23N5O6.C26H20N4O5.C24H26N10O4.C23H24N8O4.C22H22N6O4/c1-32-26(38)15-2-6-20(7-3-15)41-28(40)22-12-16-10-19(4-8-21(16)36-22)35-27(39)24-13-17-11-18(5-9-23(17)42-24)34-25(37)14-33-29(30)31;1-30-26(35)15-2-6-20(7-3-15)38-28(37)22-12-16-10-19(4-8-21(16)33-22)32-27(36)24-13-17-11-18(31-25(34)14-29)5-9-23(17)39-24;1-28-24(31)14-2-6-19(7-3-14)34-26(33)21-12-15-11-18(5-8-20(15)30-21)29-25(32)23-13-16-10-17(27)4-9-22(16)35-23;25-23(26)30-6-5-29-21(36)17-9-12-7-15(1-3-16(12)34-17)33-22(37)19-10-13-8-14(2-4-18(13)38-19)32-20(35)11-31-24(27)28;24-5-6-27-21(33)17-9-12-7-15(1-3-16(12)31-17)30-22(34)19-10-13-8-14(2-4-18(13)35-19)29-20(32)11-28-23(25)26;23-5-6-25-21(30)17-9-12-7-15(1-3-16(12)28-17)27-22(31)19-10-13-8-14(26-20(29)11-24)2-4-18(13)32-19/h2-13,36H,14H2,1H3,(H,32,38)(H,34,37)(H,35,39)(H4,30,31,33);2-13,33H,14,29H2,1H3,(H,30,35)(H,31,34)(H,32,36);2-13,30H,27H2,1H3,(H,28,31)(H,29,32);1-4,7-10,34H,5-6,11H2,(H,29,36)(H,32,35)(H,33,37)(H4,25,26,30)(H4,27,28,31);1-4,7-10,31H,5-6,11,24H2,(H,27,33)(H,29,32)(H,30,34)(H4,25,26,28);1-4,7-10,28H,5-6,11,23-24H2,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate?
5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate has a molecular weight of 2991.04 g/mol, XLogP of 14.13, 44 rotatable bonds, 36 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-N-(2-aminoethyl)-1H-indole-2-carboxamide;N-(2-aminoethyl)-5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxamide;5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1H-indole-2-carboxamide;[4-(methylcarbamoyl)phenyl] 5-[[5-[(2-aminoacetyl)amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[(5-amino-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carboxylate;[4-(methylcarbamoyl)phenyl] 5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 159416249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).