(3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one

C151H133N13O20S — CID 161099735

IUPAC(3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
SMILESCC(C)C(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21.N#Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)C1CCCC1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cc2ccccc2o1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccco1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccs1
InChIInChI=1S/C28H22N2O4.C27H21N3O3.C25H26N2O3.C24H20N2O4.C24H20N2O3S.C23H24N2O3/c31-24(26-15-18-7-1-6-12-25(18)34-26)16-28(33)21-9-3-5-11-23(21)30(27(28)32)14-13-19-17-29-22-10-4-2-8-20(19)22;28-16-18-9-11-19(12-10-18)25(31)15-27(33)22-6-2-4-8-24(22)30(26(27)32)14-13-20-17-29-23-7-3-1-5-21(20)23;28-23(17-7-1-2-8-17)15-25(30)20-10-4-6-12-22(20)27(24(25)29)14-13-18-16-26-21-11-5-3-9-19(18)21;2*27-21(22-10-5-13-30-22)14-24(29)18-7-2-4-9-20(18)26(23(24)28)12-11-16-15-25-19-8-3-1-6-17(16)19;1-15(2)21(26)13-23(28)18-8-4-6-10-20(18)25(22(23)27)12-11-16-14-24-19-9-5-3-7-17(16)19/h1-12,15,17,29,33H,13-14,16H2;1-12,17,29,33H,13-15H2;3-6,9-12,16-17,26,30H,1-2,7-8,13-15H2;2*1-10,13,15,25,29H,11-12,14H2;3-10,14-15,24,28H,11-13H2,1-2H3/t28-;27-;25-;2*24-;23-/m111111/s1
InChIKeyUIGLPOCGAOEZDG-UNQJZLMDSA-N
MW2481.86 g/mol
LogP24.80
Rot. Bonds36

About (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one

(3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (PubChem CID 161099735) has the molecular formula C151H133N13O20S and a molecular weight of 2481.86 g/mol. Its IUPAC name is (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
PubChem CID161099735
Molecular FormulaC151H133N13O20S
Molecular Weight2481.86 g/mol
Exact Mass2479.95
IUPAC Name(3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
SMILESCC(C)C(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21.N#Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)C1CCCC1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cc2ccccc2o1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccco1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccs1
InChIInChI=1S/C28H22N2O4.C27H21N3O3.C25H26N2O3.C24H20N2O4.C24H20N2O3S.C23H24N2O3/c31-24(26-15-18-7-1-6-12-25(18)34-26)16-28(33)21-9-3-5-11-23(21)30(27(28)32)14-13-19-17-29-22-10-4-2-8-20(19)22;28-16-18-9-11-19(12-10-18)25(31)15-27(33)22-6-2-4-8-24(22)30(26(27)32)14-13-20-17-29-23-7-3-1-5-21(20)23;28-23(17-7-1-2-8-17)15-25(30)20-10-4-6-12-22(20)27(24(25)29)14-13-18-16-26-21-11-5-3-9-19(18)21;2*27-21(22-10-5-13-30-22)14-24(29)18-7-2-4-9-20(18)26(23(24)28)12-11-16-15-25-19-8-3-1-6-17(16)19;1-15(2)21(26)13-23(28)18-8-4-6-10-20(18)25(22(23)27)12-11-16-14-24-19-9-5-3-7-17(16)19/h1-12,15,17,29,33H,13-14,16H2;1-12,17,29,33H,13-15H2;3-6,9-12,16-17,26,30H,1-2,7-8,13-15H2;2*1-10,13,15,25,29H,11-12,14H2;3-10,14-15,24,28H,11-13H2,1-2H3/t28-;27-;25-;2*24-;23-/m111111/s1
InChIKeyUIGLPOCGAOEZDG-UNQJZLMDSA-N
XLogP24.80
TPSA490.47 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002481.86
LogP ≤ 524.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one with MolForge

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Related Compounds

(4R,9aR)-4-(1-benzofuran-7-yl)-5-(cyclopropanecarbonyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one;(4R,9aR)-4-(1-benzofuran-7-yl)-5-(2,2-difluoroacetyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one;(4R,9aR)-4-(1-benzofuran-7-yl)-5-(2-hydroxyacetyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one;(4S,9aR)-4-(1-benzothiophen-7-yl)-5-(2-hydroxyacetyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one;(4R,9aR)-5-(2-hydroxyacetyl)-4-(2-methyl-1-benzofuran-7-yl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one;(4R,9aR)-4-(1H-indol-7-yl)-5-(2-methoxyacetyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one;(4R,9aR)-5-(2-methoxyacetyl)-4-(2-methyl-1H-indol-7-yl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one
CID 158473801
N-benzyl-4-iodobenzamide;N-benzyl-N-methyl-2-phenylacetamide;1-(furan-2-yl)-3-phenylpropan-1-one;1-(furan-3-yl)-3-phenylpropan-1-one;N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide;N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide;3-phenyl-1-thiophen-2-ylpropan-1-one
CID 159216301
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 159565279
5-[3-[(benzylamino)methyl]phenyl]-N-hydroxyfuran-2-carboxamide;N-hydroxy-5-[3-[[2-hydroxyethyl(2-pyridin-3-ylethyl)amino]methyl]phenyl]thiophene-2-carboxamide;N-hydroxy-5-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]furan-2-carboxamide;N-hydroxy-4-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]thiophene-2-carboxamide;N-hydroxy-5-[3-[(2-phenylethylamino)methyl]phenyl]furan-2-carboxamide;N-hydroxy-5-[4-[(2-phenylethylamino)methyl]phenyl]furan-2-carboxamide;N-hydroxy-4-[4-[(2-phenylethylamino)methyl]phenyl]thiophene-2-carboxamide;N-hydroxy-5-[3-[(3-phenylpropylamino)methyl]phenyl]furan-2-carboxamide;N-hydroxy-5-[3-[(2-pyridin-3-ylethylamino)methyl]phenyl]thiophene-2-carboxamide
CID 160271861
CID 161465265
CID 161465265
(3S)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one;(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(naphthalen-1-ylmethyl)indol-2-one;(3S)-3-hydroxy-3-(1H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one;(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one;(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-phenacylindol-2-one
CID 161511268

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The IUPAC name of (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (CID 161099735) is (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.
What is the SMILES notation for (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The canonical SMILES for (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one is CC(C)C(=O)C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21.N#Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)C1CCCC1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cc2ccccc2o1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccco1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccs1.
What is the InChIKey of (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The InChIKey is UIGLPOCGAOEZDG-UNQJZLMDSA-N. The full InChI is InChI=1S/C28H22N2O4.C27H21N3O3.C25H26N2O3.C24H20N2O4.C24H20N2O3S.C23H24N2O3/c31-24(26-15-18-7-1-6-12-25(18)34-26)16-28(33)21-9-3-5-11-23(21)30(27(28)32)14-13-19-17-29-22-10-4-2-8-20(19)22;28-16-18-9-11-19(12-10-18)25(31)15-27(33)22-6-2-4-8-24(22)30(26(27)32)14-13-20-17-29-23-7-3-1-5-21(20)23;28-23(17-7-1-2-8-17)15-25(30)20-10-4-6-12-22(20)27(24(25)29)14-13-18-16-26-21-11-5-3-9-19(18)21;2*27-21(22-10-5-13-30-22)14-24(29)18-7-2-4-9-20(18)26(23(24)28)12-11-16-15-25-19-8-3-1-6-17(16)19;1-15(2)21(26)13-23(28)18-8-4-6-10-20(18)25(22(23)27)12-11-16-14-24-19-9-5-3-7-17(16)19/h1-12,15,17,29,33H,13-14,16H2;1-12,17,29,33H,13-15H2;3-6,9-12,16-17,26,30H,1-2,7-8,13-15H2;2*1-10,13,15,25,29H,11-12,14H2;3-10,14-15,24,28H,11-13H2,1-2H3/t28-;27-;25-;2*24-;23-/m111111/s1.
What are the key properties of (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
(3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one has a molecular weight of 2481.86 g/mol, XLogP of 24.80, 36 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-(2-cyclopentyl-2-oxoethyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(3-methyl-2-oxobutyl)indol-2-one;4-[2-[(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxoindol-3-yl]acetyl]benzonitrile;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one is sourced from PubChem (CID 161099735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).