General Information of the Compound
| Compound ID |
CP0576205
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| Compound Name |
3-[3-[[2-cyclopentyl-2-[4-(2-methylpyridin-3-yl)phenyl]acetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C29H32N2O3
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| Molecular Weight |
456.586
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| Canonical SMILES |
Cc1ncccc1-c1ccc(cc1)C(C1CCCC1)C(=O)Nc1cccc(CCC(O)=O)c1C
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| InChI |
InChI=1S/C29H32N2O3/c1-19-21(16-17-27(32)33)9-5-11-26(19)31-29(34)28(23-7-3-4-8-23)24-14-12-22(13-15-24)25-10-6-18-30-20(25)2/h5-6,9-15,18,23,28H,3-4,7-8,16-17H2,1-2H3,(H,31,34)(H,32,33)
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| InChIKey |
MDLNODGZDCQTDP-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