General Information of the Compound
| Compound ID |
CP0062960
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| Compound Name |
(+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile
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| Synonyms |
1428-67-7
2,3-Bis(p-hydroxyphenyl)-propionitrile
2,3-Bis(p-hydroxyphenyl)propionitrile
2,3-bis(4-hydroxyphenyl)-propionitrile
2,3-bis(4-hydroxyphenyl)propanenitrile
2,3-bis(4-hydroxyphenyl)propionitrile
AC1L2T6L
BRN 3337109
Benzenepropanenitrile,4-hydroxy-a-(4-hydroxyphenyl)-
CHEBI:63949
CHEMBL334773
CTK8F9375
DPN compound
DTXSID0040387
GTPL2825
MolPort-003-983-761
Propionitrile, 2,3-bis(p-hydroxyphenyl)
Propionitrile, 2,3-bis(p-hydroxyphenyl)-
SC-4473
SCHEMBL1940848
SR-01000597601
diarylpropionitril
diarylpropionitrile
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| Structure |
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| Formula |
C15H13NO2
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| Molecular Weight |
239.274
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| Canonical SMILES |
Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
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| InChIKey |
GHZHWDWADLAOIQ-UHFFFAOYSA-N
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| CAS |
1428-67-7
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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