General Information of the Compound
| Compound ID |
CP0567453
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| Compound Name |
4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C20H19ClN4O4
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| Molecular Weight |
414.849
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| Canonical SMILES |
CC(C)n1c(=O)nc(Nc2ccc(cc2)C(O)=O)n(Cc2ccc(Cl)cc2)c1=O
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| InChI |
InChI=1S/C20H19ClN4O4/c1-12(2)25-19(28)23-18(22-16-9-5-14(6-10-16)17(26)27)24(20(25)29)11-13-3-7-15(21)8-4-13/h3-10,12H,11H2,1-2H3,(H,26,27)(H,22,23,28)
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| InChIKey |
WHKZIDCKYOYTQQ-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