(3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one

C160H137F3N12O22 — CID 159993512

IUPAC(3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one
SMILESCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)c1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccc(O)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccc(OC(F)(F)F)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccc(O)c1
InChIInChI=1S/C27H21F3N2O4.C27H24N2O4.2C27H24N2O3.2C26H22N2O4/c28-27(29,30)36-19-11-9-17(10-12-19)24(33)15-26(35)21-6-2-4-8-23(21)32(25(26)34)14-13-18-16-31-22-7-3-1-5-20(18)22;1-33-20-12-10-18(11-13-20)25(30)16-27(32)22-7-3-5-9-24(22)29(26(27)31)15-14-19-17-28-23-8-4-2-6-21(19)23;1-18-7-6-8-19(15-18)25(30)16-27(32)22-10-3-5-12-24(22)29(26(27)31)14-13-20-17-28-23-11-4-2-9-21(20)23;1-18-10-12-19(13-11-18)25(30)16-27(32)22-7-3-5-9-24(22)29(26(27)31)15-14-20-17-28-23-8-4-2-6-21(20)23;29-19-7-5-6-17(14-19)24(30)15-26(32)21-9-2-4-11-23(21)28(25(26)31)13-12-18-16-27-22-10-3-1-8-20(18)22;29-19-11-9-17(10-12-19)24(30)15-26(32)21-6-2-4-8-23(21)28(25(26)31)14-13-18-16-27-22-7-3-1-5-20(18)22/h1-12,16,31,35H,13-15H2;2-13,17,28,32H,14-16H2,1H3;2-12,15,17,28,32H,13-14,16H2,1H3;2-13,17,28,32H,14-16H2,1H3;1-11,14,16,27,29,32H,12-13,15H2;1-12,16,27,29,32H,13-15H2/t26-;3*27-;2*26-/m111111/s1
InChIKeyOHGFAAAHRUQNFK-SVHMHTQSSA-N
MW2636.91 g/mol
LogP26.24
Rot. Bonds38

About (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one

(3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one (PubChem CID 159993512) has the molecular formula C160H137F3N12O22 and a molecular weight of 2636.91 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one
PubChem CID159993512
Molecular FormulaC160H137F3N12O22
Molecular Weight2636.91 g/mol
Exact Mass2634.99
IUPAC Name(3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one
SMILESCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)c1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccc(O)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccc(OC(F)(F)F)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccc(O)c1
InChIInChI=1S/C27H21F3N2O4.C27H24N2O4.2C27H24N2O3.2C26H22N2O4/c28-27(29,30)36-19-11-9-17(10-12-19)24(33)15-26(35)21-6-2-4-8-23(21)32(25(26)34)14-13-18-16-31-22-7-3-1-5-20(18)22;1-33-20-12-10-18(11-13-20)25(30)16-27(32)22-7-3-5-9-24(22)29(26(27)31)15-14-19-17-28-23-8-4-2-6-21(19)23;1-18-7-6-8-19(15-18)25(30)16-27(32)22-10-3-5-12-24(22)29(26(27)31)14-13-20-17-28-23-11-4-2-9-21(20)23;1-18-10-12-19(13-11-18)25(30)16-27(32)22-7-3-5-9-24(22)29(26(27)31)15-14-20-17-28-23-8-4-2-6-21(20)23;29-19-7-5-6-17(14-19)24(30)15-26(32)21-9-2-4-11-23(21)28(25(26)31)13-12-18-16-27-22-10-3-1-8-20(18)22;29-19-11-9-17(10-12-19)24(30)15-26(32)21-6-2-4-8-23(21)28(25(26)31)14-13-18-16-27-22-7-3-1-5-20(18)22/h1-12,16,31,35H,13-15H2;2-13,17,28,32H,14-16H2,1H3;2-12,15,17,28,32H,13-14,16H2,1H3;2-13,17,28,32H,14-16H2,1H3;1-11,14,16,27,29,32H,12-13,15H2;1-12,16,27,29,32H,13-15H2/t26-;3*27-;2*26-/m111111/s1
InChIKeyOHGFAAAHRUQNFK-SVHMHTQSSA-N
XLogP26.24
TPSA499.32 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds38
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002636.91
LogP ≤ 526.24
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Analyze (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one with MolForge

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Related Compounds

(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,38-nonaoxo-4,10,13,16,22,25,28,31,37-nonazatetracyclo[37.2.2.06,10.018,22]tritetraconta-1(42),39(43),40-triene-3-carboxamide
CID 166611960
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35,38-decaoxo-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-triene-3-carboxamide
CID 166611974
(6S,12S,15S,18S,20S,24S,27S,30R,33S)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1S)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-triene-5,11,14,17,23,26,29,32,35,38-decone
CID 166611985
(14S,17S,23S,26S,29S,32S,35S,38S,41R)-32-fluoro-35,38-bis[(5-fluoro-1H-indol-3-yl)methyl]-26-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-17,41-dimethyl-16,22,25,28,34,37,40,43-octaoxo-7,15,21,24,27,33,36,39,42-nonazahexacyclo[42.2.2.22,5.29,12.017,21.029,33]dopentaconta-1(47),2(52),3,5(51),9,11,44(48),45,49-nonaene-14-carboxamide
CID 158274436
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-27-[(5-fluoro-1H-indol-3-yl)methyl]-24-[(6-fluoro-1H-indol-3-yl)methyl]-15-[(1S)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,39-nonaoxo-4,10,13,16,22,25,28,31,38-nonazatetracyclo[38.2.2.06,10.018,22]tetratetraconta-1(43),40(44),41-triene-3-carboxamide
CID 166611810
(10S,13S,19S,22R,25S,27S,31S,34S,37R)-27-fluoro-31,34-bis[(5-fluoro-1H-indol-3-yl)methyl]-22-[(1S)-1-hydroxyethyl]-19-[(4-methoxyphenyl)methyl]-13,37-dimethyl-4,12,18,21,24,30,33,36,39-nonaoxo-3,11,17,20,23,29,32,35,38-nonazapentacyclo[39.2.2.25,8.013,17.025,29]heptatetraconta-1(44),5,7,41(45),42,46-hexaene-10-carboxamide
CID 166611963
(7S,10S,16S,19S,22S,24S,28S,31S,34R,37S,40S)-40-acetamido-24-fluoro-28,31-bis[(5-fluoro-1H-indol-3-yl)methyl]-19-[(1S)-1-hydroxyethyl]-16-[(4-methoxyphenyl)methyl]-10,34,37-trimethyl-2,9,15,18,21,27,30,33,36,39,44-undecaoxo-3,8,14,17,20,26,29,32,35,38,43-undecazatetracyclo[43.3.1.010,14.022,26]nonatetraconta-1(49),45,47-triene-7-carboxamide
CID 166611999
(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one
CID 142489418
2-[(3S,6S,12S,15R,18S,21R,24S,27R)-3-carbamoyl-24-[(5-fluoro-1H-indol-3-yl)methyl]-21-[(6-fluoro-1H-indol-3-yl)methyl]-12-[(4-methoxyphenyl)methyl]-6,27-dimethyl-5,11,14,17,20,23,26,29,36-nonaoxo-15-(3H-pyrrol-4-ylmethyl)-4,10,13,19,25,28,35-heptazatricyclo[35.2.2.06,10]hentetraconta-1(40),37(41),38-trien-18-yl]acetic acid
CID 157482606
2-[(3S,6S,12S,15R,18S,21R,24S,27R,30R)-30-acetamido-3-carbamoyl-21,24-bis[(5-fluoro-1H-indol-3-yl)methyl]-12-[(4-methoxyphenyl)methyl]-6,27-dimethyl-5,11,14,17,20,23,26,29,36-nonaoxo-15-(3H-pyrrol-4-ylmethyl)-4,10,13,19,25,28,35-heptazatricyclo[35.2.2.06,10]hentetraconta-1(40),37(41),38-trien-18-yl]acetic acid
CID 157526627
1-(2-fluorophenyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxyphenyl)butane-1,4-dione;tris(1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 158063881
(3R,6S,12S,15S,18S,20S,24S,27R,30R)-20-fluoro-24-[(6-fluoro-3H-inden-1-yl)methyl]-27-[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,38-nonaoxo-10,13,16,22,25,31,37-heptazatetracyclo[37.2.2.06,10.018,22]tritetraconta-1(42),39(43),40-triene-3-carboxamide
CID 158173827

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one (CID 159993512) is (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one is COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)cc1.Cc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3c[nH]c4ccccc34)c3ccccc32)c1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccc(O)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccc(OC(F)(F)F)cc1.O=C(C[C@]1(O)C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1cccc(O)c1.
What is the InChIKey of (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one?
The InChIKey is OHGFAAAHRUQNFK-SVHMHTQSSA-N. The full InChI is InChI=1S/C27H21F3N2O4.C27H24N2O4.2C27H24N2O3.2C26H22N2O4/c28-27(29,30)36-19-11-9-17(10-12-19)24(33)15-26(35)21-6-2-4-8-23(21)32(25(26)34)14-13-18-16-31-22-7-3-1-5-20(18)22;1-33-20-12-10-18(11-13-20)25(30)16-27(32)22-7-3-5-9-24(22)29(26(27)31)15-14-19-17-28-23-8-4-2-6-21(19)23;1-18-7-6-8-19(15-18)25(30)16-27(32)22-10-3-5-12-24(22)29(26(27)31)14-13-20-17-28-23-11-4-2-9-21(20)23;1-18-10-12-19(13-11-18)25(30)16-27(32)22-7-3-5-9-24(22)29(26(27)31)15-14-20-17-28-23-8-4-2-6-21(20)23;29-19-7-5-6-17(14-19)24(30)15-26(32)21-9-2-4-11-23(21)28(25(26)31)13-12-18-16-27-22-10-3-1-8-20(18)22;29-19-11-9-17(10-12-19)24(30)15-26(32)21-6-2-4-8-23(21)28(25(26)31)14-13-18-16-27-22-7-3-1-5-20(18)22/h1-12,16,31,35H,13-15H2;2-13,17,28,32H,14-16H2,1H3;2-12,15,17,28,32H,13-14,16H2,1H3;2-13,17,28,32H,14-16H2,1H3;1-11,14,16,27,29,32H,12-13,15H2;1-12,16,27,29,32H,13-15H2/t26-;3*27-;2*26-/m111111/s1.
What are the key properties of (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one?
(3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one has a molecular weight of 2636.91 g/mol, XLogP of 26.24, 38 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]indol-2-one is sourced from PubChem (CID 159993512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).