General Information of the Compound
| Compound ID |
CP0517191
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| Compound Name |
1-[(4-hydroxyphenyl)methyl]-1-propyl-2,3-dihydroinden-5-ol
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| Formula |
C19H22O2
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| Molecular Weight |
282.383
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| Canonical SMILES |
CCCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc12
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| InChI |
InChI=1S/C19H22O2/c1-2-10-19(13-14-3-5-16(20)6-4-14)11-9-15-12-17(21)7-8-18(15)19/h3-8,12,20-21H,2,9-11,13H2,1H3
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| InChIKey |
GJZGTVYIUCWPDT-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