General Information of the Compound
| Compound ID |
CP0517213
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| Compound Name |
1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
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| Formula |
C17H18O2
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| Molecular Weight |
254.329
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| Canonical SMILES |
CC1(Cc2ccc(O)cc2)CCc2cc(O)ccc12
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| InChI |
InChI=1S/C17H18O2/c1-17(11-12-2-4-14(18)5-3-12)9-8-13-10-15(19)6-7-16(13)17/h2-7,10,18-19H,8-9,11H2,1H3
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| InChIKey |
ROKDZTWHXYGGTD-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