General Information of the Compound
| Compound ID |
CP0285884
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| Compound Name |
(2R)-2-[2-chloro-5-[[3-[(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C25H19Cl2F3N2O4
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| Molecular Weight |
539.337
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| Canonical SMILES |
C[C@@H](Oc1cc(Cn2c3cc(ccc3n(Cc3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
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| InChI |
InChI=1S/C25H19Cl2F3N2O4/c1-14(23(33)34)36-22-10-16(4-8-19(22)27)13-32-21-11-17(25(28,29)30)5-9-20(21)31(24(32)35)12-15-2-6-18(26)7-3-15/h2-11,14H,12-13H2,1H3,(H,33,34)/t14-/m1/s1
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| InChIKey |
XXDAGAVXKJFFJW-CQSZACIVSA-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