General Information of the Compound
| Compound ID |
CP0578888
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| Compound Name |
3-[3-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-(oxolan-3-yl)acetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C27H27ClN2O4
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| Molecular Weight |
478.976
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCOC1)c1ccc(cc1)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C27H27ClN2O4/c1-17-18(9-10-25(31)32)3-2-4-24(17)30-27(33)26(21-11-12-34-16-21)20-7-5-19(6-8-20)22-13-23(28)15-29-14-22/h2-8,13-15,21,26H,9-12,16H2,1H3,(H,30,33)(H,31,32)
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| InChIKey |
WGRRZRVPCRHWRA-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