General Information of the Compound
| Compound ID |
CP0131874
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| Compound Name |
(2R)-2-[5-[[3-(4-tert-butylphenyl)-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-2-chlorophenoxy]propanoic acid
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| Structure |
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| Formula |
C28H26ClF3N2O4
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| Molecular Weight |
546.973
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| Canonical SMILES |
C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3ccc(cc3)C(C)(C)C)c2=O)C(F)(F)F)ccc1Cl)C(O)=O
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| InChI |
InChI=1S/C28H26ClF3N2O4/c1-16(25(35)36)38-24-13-17(5-11-21(24)29)15-33-23-14-19(28(30,31)32)8-12-22(23)34(26(33)37)20-9-6-18(7-10-20)27(2,3)4/h5-14,16H,15H2,1-4H3,(H,35,36)/t16-/m1/s1
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| InChIKey |
OKAPTEQUUMALED-MRXNPFEDSA-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