General Information of the Compound
| Compound ID |
CP0166785
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| Compound Name |
(2R)-2-[2-chloro-5-[[3-(4-chlorobenzoyl)-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C25H17Cl2F3N2O5
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| Molecular Weight |
553.32
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| Canonical SMILES |
C[C@@H](Oc1cc(Cn2c3cc(ccc3n(C(=O)c3ccc(Cl)cc3)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
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| InChI |
InChI=1S/C25H17Cl2F3N2O5/c1-13(23(34)35)37-21-10-14(2-8-18(21)27)12-31-20-11-16(25(28,29)30)5-9-19(20)32(24(31)36)22(33)15-3-6-17(26)7-4-15/h2-11,13H,12H2,1H3,(H,34,35)/t13-/m1/s1
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| InChIKey |
QADHKMUZJTZANQ-CYBMUJFWSA-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