General Information of the Compound
| Compound ID |
CP0574928
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| Compound Name |
3-[5-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C28H29ClN2O3
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| Molecular Weight |
477.004
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| Canonical SMILES |
Cc1ccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)cc1CCC(O)=O
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| InChI |
InChI=1S/C28H29ClN2O3/c1-18-6-12-25(15-22(18)11-13-26(32)33)31-28(34)27(20-4-2-3-5-20)21-9-7-19(8-10-21)23-14-24(29)17-30-16-23/h6-10,12,14-17,20,27H,2-5,11,13H2,1H3,(H,31,34)(H,32,33)
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| InChIKey |
KAXQEQMQRBQYCO-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