General Information of the Compound
| Compound ID |
CP0918197
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| Compound Name |
(1S,2S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-indene-1,2-diol
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| Structure |
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| Formula |
C16H22O3
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| Molecular Weight |
262.349
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| Canonical SMILES |
C[C@]12CC[C@H](c3ccc(O)cc3)C[C@H]1C[C@H](O)[C@H]2O
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| InChI |
InChI=1S/C16H22O3/c1-16-7-6-11(10-2-4-13(17)5-3-10)8-12(16)9-14(18)15(16)19/h2-5,11-12,14-15,17-19H,6-9H2,1H3/t11-,12-,14-,15+,16-/m0/s1
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| InChIKey |
IIBCEMFGHTTXHL-AMSCCUFHSA-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