General Information of the Compound
| Compound ID |
CP0502604
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| Compound Name |
4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)phenol
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| Synonyms |
4,4'-Indole-2,3-diyldiphenol
4,4'-[1H-Indole-2,3-diyl]bis(phenol)
4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)phenol
5890-93-7
AC1L46D4
BDBM50175412
BRN 1541731
CHEMBL200232
DTXSID90207642
LS-104733
Phenol, 4,4'-indole-2,3-diyldi-
SCHEMBL7037980
ZINC3638330
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| Structure |
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| Formula |
C20H15NO2
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| Molecular Weight |
301.345
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| Canonical SMILES |
Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(O)cc1
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| InChI |
InChI=1S/C20H15NO2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)21-20(19)14-7-11-16(23)12-8-14/h1-12,21-23H
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| InChIKey |
MGOARPQWMKCCSF-UHFFFAOYSA-N
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| CAS |
5890-93-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta
Clinical Information about the Compound