General Information of the Compound
| Compound ID |
CP0546492
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| Compound Name |
2-[1-[(4-chlorophenyl)methyl]-2-(3-chloro-4-propan-2-yloxyanilino)-6-oxopyrimidin-5-yl]acetic acid
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| Formula |
C22H21Cl2N3O4
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| Molecular Weight |
462.333
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2ncc(CC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
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| InChI |
InChI=1S/C22H21Cl2N3O4/c1-13(2)31-19-8-7-17(10-18(19)24)26-22-25-11-15(9-20(28)29)21(30)27(22)12-14-3-5-16(23)6-4-14/h3-8,10-11,13H,9,12H2,1-2H3,(H,25,26)(H,28,29)
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| InChIKey |
JJLUUSYEHIJZTG-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