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

C125H106Br12N22O16 — CID 157406591

IUPACN-[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
SMILESCOC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.NCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.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/C23H23Br2N5O2.C23H22Br2N4O3.C21H18Br2N4O3.C20H15Br2N3O3.C19H13Br2N3O3.C19H15Br2N3O2/c24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20;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/h3-6,9-12,21,28-29H,1-2,7-8,26H2,(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)
InChIKeyBNUCERCBZUPVCJ-UHFFFAOYSA-N
MW3131.21 g/mol
LogP26.97
Rot. Bonds34

About 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

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 (PubChem CID 157406591) has the molecular formula C125H106Br12N22O16 and a molecular weight of 3131.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157406591
Molecular FormulaC125H106Br12N22O16
Molecular Weight3131.21 g/mol
Exact Mass3117.84
IUPAC NameN-[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
SMILESCOC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.NCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.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/C23H23Br2N5O2.C23H22Br2N4O3.C21H18Br2N4O3.C20H15Br2N3O3.C19H13Br2N3O3.C19H15Br2N3O2/c24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20;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/h3-6,9-12,21,28-29H,1-2,7-8,26H2,(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)
InChIKeyBNUCERCBZUPVCJ-UHFFFAOYSA-N
XLogP26.97
TPSA601.69 Ų
H-Bond Donors26
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003131.21
LogP ≤ 526.97
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-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 with MolForge

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Related Compounds

methyl (1R,3S)-2-[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]-1-(2-bromophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 52947081
2-(5-Bromo-1H-indol-3-yl)-2-(5-bromo-1H-indole-3-carboxamido) acetic acid
CID 71223614
(3R)-3-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-24-[3-[(2-amino-5-bromobenzoyl)amino]propyl]-30-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxybutanoyl]amino]-3-[2-(2-aminophenyl)-2-oxoethyl]-15,21-bis(carboxymethyl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-6-yl]butanoic acid
CID 73356152
(2S)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-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]-3-(1H-indol-3-yl)propanoic acid
CID 129901230
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
(2S)-2-[[(2S)-1-[2-[1-[3-[3-[2-[(2S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]propyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129905567
Methyl 2-(5-bromo-1H-indol-3-yl)-2-(5-bromo-1H-indole-3-carboxamido)acetate
CID 71223605
[1-(5-bromo-1H-indol-3-yl)-1-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]-3,3-dimethylbutan-2-yl] carbamate
CID 90330605
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
tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate
CID 157341680
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.NCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.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-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?
The InChIKey is BNUCERCBZUPVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Br2N5O2.C23H22Br2N4O3.C21H18Br2N4O3.C20H15Br2N3O3.C19H13Br2N3O3.C19H15Br2N3O2/c24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20;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/h3-6,9-12,21,28-29H,1-2,7-8,26H2,(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-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?
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 has a molecular weight of 3131.21 g/mol, XLogP of 26.97, 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-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 is sourced from PubChem (CID 157406591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).