2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate

C221H242N42O35 — CID 158413187

IUPAC2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate
SMILESC/C(N)=N\CC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(C/N=C(\C)N)CC6)cc5c4)ccc3[nH]2)CC1.CC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(C)=O)cc4c3)ccc2[nH]1.CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1.CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1.CCOC(=O)c1cc2cc(N)ccc2[nH]1.CCOC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.NC(N)=NCC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(CN=C(N)N)CC6)cc5c4)ccc3[nH]2)CC1.NCC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(CN)CC6)cc5c4)ccc3[nH]2)CC1.O=C(Nc1ccc2[nH]c(C(=O)O)cc2c1)c1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C39H51N9O3.C37H49N11O3.C35H45N7O3.C23H21N3O5.C21H17N3O3.C19H13N3O5.C13H13NO3.C12H11NO4.C11H10N2O4.C11H12N2O2/c1-23(40)42-19-25-3-7-27(8-4-25)21-44-38(50)35-17-30-15-29(11-13-33(30)47-35)37(49)46-32-12-14-34-31(16-32)18-36(48-34)39(51)45-22-28-9-5-26(6-10-28)20-43-24(2)41;38-36(39)44-19-23-5-1-21(2-6-23)17-42-34(50)31-15-26-13-25(9-11-29(26)47-31)33(49)46-28-10-12-30-27(14-28)16-32(48-30)35(51)43-18-22-3-7-24(8-4-22)20-45-37(40)41;36-17-21-1-5-23(6-2-21)19-38-34(44)31-15-26-13-25(9-11-29(26)41-31)33(43)40-28-10-12-30-27(14-28)16-32(42-30)35(45)39-20-24-7-3-22(18-37)4-8-24;1-3-30-22(28)19-11-14-9-13(5-7-17(14)25-19)21(27)24-16-6-8-18-15(10-16)12-20(26-18)23(29)31-4-2;1-11(25)19-9-14-7-13(3-5-17(14)23-19)21(27)22-16-4-6-18-15(8-16)10-20(24-18)12(2)26;23-17(9-1-3-13-10(5-9)7-15(21-13)18(24)25)20-12-2-4-14-11(6-12)8-16(22-14)19(26)27;1-3-17-13(16)12-7-10-6-9(8(2)15)4-5-11(10)14-12;1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h11-18,25-28,47-48H,3-10,19-22H2,1-2H3,(H2,40,42)(H2,41,43)(H,44,50)(H,45,51)(H,46,49);9-16,21-24,47-48H,1-8,17-20H2,(H,42,50)(H,43,51)(H,46,49)(H4,38,39,44)(H4,40,41,45);9-16,21-24,41-42H,1-8,17-20,36-37H2,(H,38,44)(H,39,45)(H,40,43);5-12,25-26H,3-4H2,1-2H3,(H,24,27);3-10,23-24H,1-2H3,(H,22,27);1-8,21-22H,(H,20,23)(H,24,25)(H,26,27);4-7,14H,3H2,1-2H3;3-6,13H,2H2,1H3,(H,14,15);3-6,12H,2H2,1H3;3-6,13H,2,12H2,1H3
InChIKeyGZOHOEZNJJTIJY-UHFFFAOYSA-N
MW4046.63 g/mol
LogP34.77
Rot. Bonds59

About 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate

2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate (PubChem CID 158413187) has the molecular formula C221H242N42O35 and a molecular weight of 4046.63 g/mol. Its IUPAC name is 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate
PubChem CID158413187
Molecular FormulaC221H242N42O35
Molecular Weight4046.63 g/mol
Exact Mass4043.84
IUPAC Name2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate
SMILESC/C(N)=N\CC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(C/N=C(\C)N)CC6)cc5c4)ccc3[nH]2)CC1.CC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(C)=O)cc4c3)ccc2[nH]1.CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1.CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1.CCOC(=O)c1cc2cc(N)ccc2[nH]1.CCOC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.NC(N)=NCC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(CN=C(N)N)CC6)cc5c4)ccc3[nH]2)CC1.NCC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(CN)CC6)cc5c4)ccc3[nH]2)CC1.O=C(Nc1ccc2[nH]c(C(=O)O)cc2c1)c1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C39H51N9O3.C37H49N11O3.C35H45N7O3.C23H21N3O5.C21H17N3O3.C19H13N3O5.C13H13NO3.C12H11NO4.C11H10N2O4.C11H12N2O2/c1-23(40)42-19-25-3-7-27(8-4-25)21-44-38(50)35-17-30-15-29(11-13-33(30)47-35)37(49)46-32-12-14-34-31(16-32)18-36(48-34)39(51)45-22-28-9-5-26(6-10-28)20-43-24(2)41;38-36(39)44-19-23-5-1-21(2-6-23)17-42-34(50)31-15-26-13-25(9-11-29(26)47-31)33(49)46-28-10-12-30-27(14-28)16-32(48-30)35(51)43-18-22-3-7-24(8-4-22)20-45-37(40)41;36-17-21-1-5-23(6-2-21)19-38-34(44)31-15-26-13-25(9-11-29(26)41-31)33(43)40-28-10-12-30-27(14-28)16-32(42-30)35(45)39-20-24-7-3-22(18-37)4-8-24;1-3-30-22(28)19-11-14-9-13(5-7-17(14)25-19)21(27)24-16-6-8-18-15(10-16)12-20(26-18)23(29)31-4-2;1-11(25)19-9-14-7-13(3-5-17(14)23-19)21(27)22-16-4-6-18-15(8-16)10-20(24-18)12(2)26;23-17(9-1-3-13-10(5-9)7-15(21-13)18(24)25)20-12-2-4-14-11(6-12)8-16(22-14)19(26)27;1-3-17-13(16)12-7-10-6-9(8(2)15)4-5-11(10)14-12;1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h11-18,25-28,47-48H,3-10,19-22H2,1-2H3,(H2,40,42)(H2,41,43)(H,44,50)(H,45,51)(H,46,49);9-16,21-24,47-48H,1-8,17-20H2,(H,42,50)(H,43,51)(H,46,49)(H4,38,39,44)(H4,40,41,45);9-16,21-24,41-42H,1-8,17-20,36-37H2,(H,38,44)(H,39,45)(H,40,43);5-12,25-26H,3-4H2,1-2H3,(H,24,27);3-10,23-24H,1-2H3,(H,22,27);1-8,21-22H,(H,20,23)(H,24,25)(H,26,27);4-7,14H,3H2,1-2H3;3-6,13H,2H2,1H3,(H,14,15);3-6,12H,2H2,1H3;3-6,13H,2,12H2,1H3
InChIKeyGZOHOEZNJJTIJY-UHFFFAOYSA-N
XLogP34.77
TPSA1249.51 Ų
H-Bond Donors40
H-Bond Acceptors39
Rotatable Bonds59
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004046.63
LogP ≤ 534.77
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1039

Analyze 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate with MolForge

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Related Compounds

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CID 68636202
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CID 124016828
ethanol;ethyl 4-nitro-1H-indole-2-carboxylate;ethyl 6-nitro-1H-indole-2-carboxylate;methane;4-nitro-1H-indole-2-carbonitrile;6-nitro-1H-indole-2-carbonitrile;4-nitro-1H-indole-2-carboxamide;6-nitro-1H-indole-2-carboxamide;4-nitro-1H-indole-2-carboxylic acid;6-nitro-1H-indole-2-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
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Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1H-indole-2-carboxylate) ethanol hemisolvate
CID 168307238
2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22672513
2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
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2-(4-nitrophenyl)ethyl 6-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-4-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 57834600
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CID 59882385
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CID 87525230
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CID 91300807

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate?
The IUPAC name of 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate (CID 158413187) is 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate.
What is the SMILES notation for 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate?
The canonical SMILES for 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate is C/C(N)=N\CC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(C/N=C(\C)N)CC6)cc5c4)ccc3[nH]2)CC1.CC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(C)=O)cc4c3)ccc2[nH]1.CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1.CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1.CCOC(=O)c1cc2cc(N)ccc2[nH]1.CCOC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.NC(N)=NCC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(CN=C(N)N)CC6)cc5c4)ccc3[nH]2)CC1.NCC1CCC(CNC(=O)c2cc3cc(NC(=O)c4ccc5[nH]c(C(=O)NCC6CCC(CN)CC6)cc5c4)ccc3[nH]2)CC1.O=C(Nc1ccc2[nH]c(C(=O)O)cc2c1)c1ccc2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate?
The InChIKey is GZOHOEZNJJTIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51N9O3.C37H49N11O3.C35H45N7O3.C23H21N3O5.C21H17N3O3.C19H13N3O5.C13H13NO3.C12H11NO4.C11H10N2O4.C11H12N2O2/c1-23(40)42-19-25-3-7-27(8-4-25)21-44-38(50)35-17-30-15-29(11-13-33(30)47-35)37(49)46-32-12-14-34-31(16-32)18-36(48-34)39(51)45-22-28-9-5-26(6-10-28)20-43-24(2)41;38-36(39)44-19-23-5-1-21(2-6-23)17-42-34(50)31-15-26-13-25(9-11-29(26)47-31)33(49)46-28-10-12-30-27(14-28)16-32(48-30)35(51)43-18-22-3-7-24(8-4-22)20-45-37(40)41;36-17-21-1-5-23(6-2-21)19-38-34(44)31-15-26-13-25(9-11-29(26)41-31)33(43)40-28-10-12-30-27(14-28)16-32(42-30)35(45)39-20-24-7-3-22(18-37)4-8-24;1-3-30-22(28)19-11-14-9-13(5-7-17(14)25-19)21(27)24-16-6-8-18-15(10-16)12-20(26-18)23(29)31-4-2;1-11(25)19-9-14-7-13(3-5-17(14)23-19)21(27)22-16-4-6-18-15(8-16)10-20(24-18)12(2)26;23-17(9-1-3-13-10(5-9)7-15(21-13)18(24)25)20-12-2-4-14-11(6-12)8-16(22-14)19(26)27;1-3-17-13(16)12-7-10-6-9(8(2)15)4-5-11(10)14-12;1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h11-18,25-28,47-48H,3-10,19-22H2,1-2H3,(H2,40,42)(H2,41,43)(H,44,50)(H,45,51)(H,46,49);9-16,21-24,47-48H,1-8,17-20H2,(H,42,50)(H,43,51)(H,46,49)(H4,38,39,44)(H4,40,41,45);9-16,21-24,41-42H,1-8,17-20,36-37H2,(H,38,44)(H,39,45)(H,40,43);5-12,25-26H,3-4H2,1-2H3,(H,24,27);3-10,23-24H,1-2H3,(H,22,27);1-8,21-22H,(H,20,23)(H,24,25)(H,26,27);4-7,14H,3H2,1-2H3;3-6,13H,2H2,1H3,(H,14,15);3-6,12H,2H2,1H3;3-6,13H,2,12H2,1H3.
What are the key properties of 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate?
2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate has a molecular weight of 4046.63 g/mol, XLogP of 34.77, 59 rotatable bonds, 40 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate is sourced from PubChem (CID 158413187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).