General Information of the Compound
| Compound ID |
CP0538361
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| Compound Name |
3-[3-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl]amino]-2-(trifluoromethoxy)phenyl]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 |
OC(=O)CCc1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1OC(F)(F)F
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| InChI |
InChI=1S/C28H26ClF3N2O4/c29-22-14-21(15-33-16-22)17-8-10-19(11-9-17)25(18-4-1-2-5-18)27(37)34-23-7-3-6-20(12-13-24(35)36)26(23)38-28(30,31)32/h3,6-11,14-16,18,25H,1-2,4-5,12-13H2,(H,34,37)(H,35,36)
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| InChIKey |
LFTVZMVEPZJEEN-UHFFFAOYSA-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