General Information of the Compound
| Compound ID |
CP0853346
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| Compound Name |
(1S,4R,5R)-4-(2-Chloro-4-hydroxy-phenyl)-2,2,6-trimethyl-3-oxa-bicyclo[3.3.1]non-6-en-1-ol
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| Structure |
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| Formula |
C17H21ClO3
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| Molecular Weight |
308.805
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| Canonical SMILES |
CC1=CC[C@]2(O)C[C@H]1[C@H](c1ccc(O)cc1Cl)OC2(C)C
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| InChI |
InChI=1S/C17H21ClO3/c1-10-6-7-17(20)9-13(10)15(21-16(17,2)3)12-5-4-11(19)8-14(12)18/h4-6,8,13,15,19-20H,7,9H2,1-3H3/t13-,15+,17+/m1/s1
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| InChIKey |
SHRHJCVYKRLOJT-KMFMINBZSA-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