General Information of the Compound
| Compound ID |
CP0483858
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| Compound Name |
2-[5-hydroxy-1-[(4-hydroxyphenyl)methyl]-2,3-dihydroinden-1-yl]acetonitrile
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| Formula |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
Oc1ccc(CC2(CC#N)CCc3cc(O)ccc23)cc1
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| InChI |
InChI=1S/C18H17NO2/c19-10-9-18(12-13-1-3-15(20)4-2-13)8-7-14-11-16(21)5-6-17(14)18/h1-6,11,20-21H,7-9,12H2
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| InChIKey |
KSJRNSBDYMOLDK-UHFFFAOYSA-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