General Information of the Compound
| Compound ID |
CP0559152
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| Compound Name |
(1R,2R)-2-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C31H31FO4
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| Molecular Weight |
486.583
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H]2C[C@H]2C(O)=O)cc1C1=CCCC1(C)C
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| InChI |
InChI=1S/C31H31FO4/c1-31(2)13-5-8-28(31)25-14-19(9-11-23(25)26-16-21(35-3)10-12-29(26)32)18-36-22-7-4-6-20(15-22)24-17-27(24)30(33)34/h4,6-12,14-16,24,27H,5,13,17-18H2,1-3H3,(H,33,34)/t24-,27+/m0/s1
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| InChIKey |
HVAKUKBDPWNUEN-RPLLCQBOSA-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