General Information of the Compound
| Compound ID |
CP0570948
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| Compound Name |
(R/S) 3-[3-({[4-(5-Chloropyridin-3-yl)-3-methylphenyl](cyclopentyl)acetyl}amino)-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C29H31ClN2O3
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| Molecular Weight |
491.031
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| Canonical SMILES |
Cc1cc(ccc1-c1cncc(Cl)c1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
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| InChI |
InChI=1S/C29H31ClN2O3/c1-18-14-22(10-12-25(18)23-15-24(30)17-31-16-23)28(21-6-3-4-7-21)29(35)32-26-9-5-8-20(19(26)2)11-13-27(33)34/h5,8-10,12,14-17,21,28H,3-4,6-7,11,13H2,1-2H3,(H,32,35)(H,33,34)
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| InChIKey |
GAZFWMPSEBFSJH-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