General Information of the Compound
| Compound ID |
CP0390961
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| Compound Name |
3-Fluoro-4-((1R,2R,5R)-5-hydroxymethyl-1,8-dimethyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol
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| Structure |
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| Formula |
C17H21FO3
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| Molecular Weight |
292.35
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| Canonical SMILES |
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3F)[C@]1(C)C2
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| InChI |
InChI=1S/C17H21FO3/c1-11-5-6-17(9-19)8-16(11,2)15(21-10-17)13-4-3-12(20)7-14(13)18/h3-5,7,15,19-20H,6,8-10H2,1-2H3/t15-,16+,17+/m0/s1
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| InChIKey |
FUYSWNHZVKBPMV-GVDBMIGSSA-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