General Information of the Compound
| Compound ID |
CP0469257
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| Compound Name |
(1R)-5-hydroxy-1-[(4-hydroxyphenyl)methyl]-2,3-dihydroindene-1-carbonitrile
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| Structure |
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| Formula |
C17H15NO2
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| Molecular Weight |
265.312
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| Canonical SMILES |
Oc1ccc(C[C@@]2(CCc3cc(O)ccc23)C#N)cc1
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| InChI |
InChI=1S/C17H15NO2/c18-11-17(10-12-1-3-14(19)4-2-12)8-7-13-9-15(20)5-6-16(13)17/h1-6,9,19-20H,7-8,10H2/t17-/m0/s1
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| InChIKey |
PHJKFZHPVVVLIY-KRWDZBQOSA-N
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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