General Information of the Compound
| Compound ID |
CP0495087
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C32H36FNO4
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| Molecular Weight |
517.641
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| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C32H36FNO4/c1-32(2)13-5-8-28(32)26-14-20(9-12-24(26)27-16-30(37-3)34-18-29(27)33)19-38-23-7-4-6-22(15-23)25(17-31(35)36)21-10-11-21/h4,6-7,9,12,14-16,18,21,25,28H,5,8,10-11,13,17,19H2,1-3H3,(H,35,36)/t25-,28-/m0/s1
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| InChIKey |
NZECYZFXTKPOEI-LSYYVWMOSA-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