General Information of the Compound
| Compound ID |
CP0848094
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| Compound Name |
(1S,3aR,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
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| Structure |
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| Formula |
C16H22O2
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| Molecular Weight |
246.35
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| Canonical SMILES |
C[C@]12CCC(c3ccc(O)cc3)C[C@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C16H22O2/c1-16-9-8-12(10-13(16)4-7-15(16)18)11-2-5-14(17)6-3-11/h2-3,5-6,12-13,15,17-18H,4,7-10H2,1H3/t12?,13-,15+,16+/m1/s1
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| InChIKey |
CEOUGJNTPKXUFS-NIWVVSBJSA-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