General Information of the Compound
| Compound ID |
CP0555009
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| Compound Name |
(R/S) 3-[3-({[4-(5-Chloropyridin-3-yl)phenyl](cyclopentyl)acetyl}amino)-6-methoxy-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C29H31ClN2O4
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| Molecular Weight |
507.03
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| Canonical SMILES |
COc1ccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c(C)c1CCC(O)=O
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| InChI |
InChI=1S/C29H31ClN2O4/c1-18-24(11-14-27(33)34)26(36-2)13-12-25(18)32-29(35)28(20-5-3-4-6-20)21-9-7-19(8-10-21)22-15-23(30)17-31-16-22/h7-10,12-13,15-17,20,28H,3-6,11,14H2,1-2H3,(H,32,35)(H,33,34)
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| InChIKey |
RWXYPGOFFKXNHR-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