N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate

C126H109Br11N22O16 — CID 158052925

IUPACN-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate
SMILESCOC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.Cc1ccc2[nH]cc(C(=O)NC(C(=O)NCCCCN)c3c[nH]c4ccc(Br)cc34)c2c1.O=C(NC(C(=O)NCCCCO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(C(=O)NCCO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(C(=O)O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(CO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H26BrN5O2.C23H22Br2N4O3.C21H18Br2N4O3.C20H15Br2N3O3.C19H13Br2N3O3.C19H15Br2N3O2/c1-14-4-6-20-16(10-14)19(13-29-20)23(31)30-22(24(32)27-9-3-2-8-26)18-12-28-21-7-5-15(25)11-17(18)21;24-13-3-5-19-15(9-13)17(11-27-19)21(23(32)26-7-1-2-8-30)29-22(31)18-12-28-20-6-4-14(25)10-16(18)20;22-11-1-3-17-13(7-11)15(9-25-17)19(21(30)24-5-6-28)27-20(29)16-10-26-18-4-2-12(23)8-14(16)18;1-28-20(27)18(14-8-23-16-4-2-10(21)6-12(14)16)25-19(26)15-9-24-17-5-3-11(22)7-13(15)17;20-9-1-3-15-11(5-9)13(7-22-15)17(19(26)27)24-18(25)14-8-23-16-4-2-10(21)6-12(14)16;20-10-1-3-16-12(5-10)14(7-22-16)18(9-25)24-19(26)15-8-23-17-4-2-11(21)6-13(15)17/h4-7,10-13,22,28-29H,2-3,8-9,26H2,1H3,(H,27,32)(H,30,31);3-6,9-12,21,27-28,30H,1-2,7-8H2,(H,26,32)(H,29,31);1-4,7-10,19,25-26,28H,5-6H2,(H,24,30)(H,27,29);2-9,18,23-24H,1H3,(H,25,26);1-8,17,22-23H,(H,24,25)(H,26,27);1-8,18,22-23,25H,9H2,(H,24,26)
InChIKeyFJRWNCWPSKQRIW-UHFFFAOYSA-N
MW3066.34 g/mol
LogP26.52
Rot. Bonds34

About N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate

N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate (PubChem CID 158052925) has the molecular formula C126H109Br11N22O16 and a molecular weight of 3066.34 g/mol. Its IUPAC name is N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate.

Molecular Properties

Compound NameN-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate
PubChem CID158052925
Molecular FormulaC126H109Br11N22O16
Molecular Weight3066.34 g/mol
Exact Mass3053.94
IUPAC NameN-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate
SMILESCOC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.Cc1ccc2[nH]cc(C(=O)NC(C(=O)NCCCCN)c3c[nH]c4ccc(Br)cc34)c2c1.O=C(NC(C(=O)NCCCCO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(C(=O)NCCO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(C(=O)O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(CO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H26BrN5O2.C23H22Br2N4O3.C21H18Br2N4O3.C20H15Br2N3O3.C19H13Br2N3O3.C19H15Br2N3O2/c1-14-4-6-20-16(10-14)19(13-29-20)23(31)30-22(24(32)27-9-3-2-8-26)18-12-28-21-7-5-15(25)11-17(18)21;24-13-3-5-19-15(9-13)17(11-27-19)21(23(32)26-7-1-2-8-30)29-22(31)18-12-28-20-6-4-14(25)10-16(18)20;22-11-1-3-17-13(7-11)15(9-25-17)19(21(30)24-5-6-28)27-20(29)16-10-26-18-4-2-12(23)8-14(16)18;1-28-20(27)18(14-8-23-16-4-2-10(21)6-12(14)16)25-19(26)15-9-24-17-5-3-11(22)7-13(15)17;20-9-1-3-15-11(5-9)13(7-22-15)17(19(26)27)24-18(25)14-8-23-16-4-2-10(21)6-12(14)16;20-10-1-3-16-12(5-10)14(7-22-16)18(9-25)24-19(26)15-8-23-17-4-2-11(21)6-13(15)17/h4-7,10-13,22,28-29H,2-3,8-9,26H2,1H3,(H,27,32)(H,30,31);3-6,9-12,21,27-28,30H,1-2,7-8H2,(H,26,32)(H,29,31);1-4,7-10,19,25-26,28H,5-6H2,(H,24,30)(H,27,29);2-9,18,23-24H,1H3,(H,25,26);1-8,17,22-23H,(H,24,25)(H,26,27);1-8,18,22-23,25H,9H2,(H,24,26)
InChIKeyFJRWNCWPSKQRIW-UHFFFAOYSA-N
XLogP26.52
TPSA601.69 Ų
H-Bond Donors26
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003066.34
LogP ≤ 526.52
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate with MolForge

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Related Compounds

2-(5-Bromo-1H-indol-3-yl)-2-(5-bromo-1H-indole-3-carboxamido) acetic acid
CID 71223614
methyl (2S)-3-(1H-indol-3-yl)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905483
methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-[2-[1-[3-[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]propyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905541
Methyl 2-(5-bromo-1H-indol-3-yl)-2-(5-bromo-1H-indole-3-carboxamido)acetate
CID 71223605
sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 157318909
N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
CID 157333815
N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate
CID 157406591
deuterioethyne;bis(2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl benzene-1,2-dicarboxylate);1-hydroxypyrrolidine-2,5-dione;2-methoxycarbonylbenzoic acid;methyl (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoate;methyl (2S)-3-(5-bromo-1H-indol-3-yl)-2-(1,3-dioxoisoindol-2-yl)propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-(5-hydroxypent-1-ynyl)-1H-indol-3-yl]propanoate;pent-4-yn-1-ol;hydrate
CID 157449810
6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;methyl 8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 157579510
1-amino-N-(2-aminoethyl)-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide;1-amino-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide;1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide;1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanol;6-bromo-3-(morpholin-4-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157598996
1-[2-(5-bromo-1H-indol-3-yl)piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione;tert-butyl 3-(5-bromo-1H-indol-3-yl)-4-[2-(5-methyl-1H-indol-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;tert-butyl 3-(1H-indol-3-yl)-4-[2-(1H-indol-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;1-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)morpholin-4-yl]ethane-1,2-dione;1-(1H-indol-3-yl)-2-[2-(1H-indol-3-yl)piperidin-1-yl]ethane-1,2-dione
CID 157868137
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)ethanol;3-(5-bromo-1H-indol-3-yl)propanamide;3-(5-bromo-1H-indol-3-yl)propanenitrile;methane;methyl 2-(5-bromo-1H-indol-3-yl)acetate;3-[5-(3-methylphenyl)-1H-indol-3-yl]propanamide;3-[5-(3-methylphenyl)-1-octylindol-3-yl]propanamide
CID 158106285

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate?
The IUPAC name of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate (CID 158052925) is N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate.
What is the SMILES notation for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate?
The canonical SMILES for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate is COC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.Cc1ccc2[nH]cc(C(=O)NC(C(=O)NCCCCN)c3c[nH]c4ccc(Br)cc34)c2c1.O=C(NC(C(=O)NCCCCO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(C(=O)NCCO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(C(=O)O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.O=C(NC(CO)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate?
The InChIKey is FJRWNCWPSKQRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN5O2.C23H22Br2N4O3.C21H18Br2N4O3.C20H15Br2N3O3.C19H13Br2N3O3.C19H15Br2N3O2/c1-14-4-6-20-16(10-14)19(13-29-20)23(31)30-22(24(32)27-9-3-2-8-26)18-12-28-21-7-5-15(25)11-17(18)21;24-13-3-5-19-15(9-13)17(11-27-19)21(23(32)26-7-1-2-8-30)29-22(31)18-12-28-20-6-4-14(25)10-16(18)20;22-11-1-3-17-13(7-11)15(9-25-17)19(21(30)24-5-6-28)27-20(29)16-10-26-18-4-2-12(23)8-14(16)18;1-28-20(27)18(14-8-23-16-4-2-10(21)6-12(14)16)25-19(26)15-9-24-17-5-3-11(22)7-13(15)17;20-9-1-3-15-11(5-9)13(7-22-15)17(19(26)27)24-18(25)14-8-23-16-4-2-10(21)6-12(14)16;20-10-1-3-16-12(5-10)14(7-22-16)18(9-25)24-19(26)15-8-23-17-4-2-11(21)6-13(15)17/h4-7,10-13,22,28-29H,2-3,8-9,26H2,1H3,(H,27,32)(H,30,31);3-6,9-12,21,27-28,30H,1-2,7-8H2,(H,26,32)(H,29,31);1-4,7-10,19,25-26,28H,5-6H2,(H,24,30)(H,27,29);2-9,18,23-24H,1H3,(H,25,26);1-8,17,22-23H,(H,24,25)(H,26,27);1-8,18,22-23,25H,9H2,(H,24,26).
What are the key properties of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate?
N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate has a molecular weight of 3066.34 g/mol, XLogP of 26.52, 34 rotatable bonds, 26 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate is sourced from PubChem (CID 158052925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).