General Information of the Compound
| Compound ID |
CP0555012
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| Compound Name |
3-[3-[2-[4-(5-chloropyridin-3-yl)phenyl]propanoylamino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C24H23ClN2O3
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| Molecular Weight |
422.912
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| Canonical SMILES |
CC(C(=O)Nc1cccc(CCC(O)=O)c1C)c1ccc(cc1)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C24H23ClN2O3/c1-15-17(10-11-23(28)29)4-3-5-22(15)27-24(30)16(2)18-6-8-19(9-7-18)20-12-21(25)14-26-13-20/h3-9,12-14,16H,10-11H2,1-2H3,(H,27,30)(H,28,29)
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| InChIKey |
VNHSMTWXGHWKLW-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