General Information of the Compound
| Compound ID |
CP0394482
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| Compound Name |
(3R)-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
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| Structure |
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| Formula |
C31H35FO4
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| Molecular Weight |
490.615
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@H](C)CC(O)=O)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C31H35FO4/c1-20(15-30(33)34)22-7-5-8-24(17-22)36-19-21-10-12-25(27-18-23(35-4)11-13-29(27)32)26(16-21)28-9-6-14-31(28,2)3/h5,7-8,10-13,16-18,20,28H,6,9,14-15,19H2,1-4H3,(H,33,34)/t20-,28+/m1/s1
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| InChIKey |
IAKOJNBEPPCCFP-NGOKVRLYSA-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