General Information of the Compound
| Compound ID |
CP0576206
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| Compound Name |
3-[3-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-(1-methyl-2-oxopyrrolidin-3-yl)acetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C28H28ClN3O4
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| Molecular Weight |
506.002
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| Canonical SMILES |
CN1CCC(C(C(=O)Nc2cccc(CCC(O)=O)c2C)c2ccc(cc2)-c2cncc(Cl)c2)C1=O
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| InChI |
InChI=1S/C28H28ClN3O4/c1-17-18(10-11-25(33)34)4-3-5-24(17)31-27(35)26(23-12-13-32(2)28(23)36)20-8-6-19(7-9-20)21-14-22(29)16-30-15-21/h3-9,14-16,23,26H,10-13H2,1-2H3,(H,31,35)(H,33,34)
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| InChIKey |
MLBTZVKJCAQEHY-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