General Information of the Compound
| Compound ID |
CP0489818
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C33H36F2O4
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| Molecular Weight |
534.643
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc([C@@H](CC(O)=O)C3CC3)c2F)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C33H36F2O4/c1-33(2)15-5-7-28(33)26-16-20(9-13-23(26)27-17-22(38-3)12-14-29(27)34)19-39-30-8-4-6-24(32(30)35)25(18-31(36)37)21-10-11-21/h4,6,8-9,12-14,16-17,21,25,28H,5,7,10-11,15,18-19H2,1-3H3,(H,36,37)/t25-,28-/m0/s1
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| InChIKey |
ARPZGIHDAGVKKL-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