General Information of the Compound
| Compound ID |
CP0517190
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| Compound Name |
(1S)-1-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1H-inden-5-ol
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| Structure |
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| Formula |
C16H16O2
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| Molecular Weight |
240.302
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| Canonical SMILES |
Oc1ccc(C[C@@H]2CCc3cc(O)ccc23)cc1
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| InChI |
InChI=1S/C16H16O2/c17-14-5-1-11(2-6-14)9-12-3-4-13-10-15(18)7-8-16(12)13/h1-2,5-8,10,12,17-18H,3-4,9H2/t12-/m0/s1
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| InChIKey |
XGRXLJYMKZFZBV-LBPRGKRZSA-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