General Information of the Compound
| Compound ID |
CP0492155
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| Compound Name |
3-(2,3-dichlorophenyl)-3-[[2-(2,4-difluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C19H13Cl2F2N3O4
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| Molecular Weight |
456.232
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| Canonical SMILES |
OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccc(F)cc1F)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C19H13Cl2F2N3O4/c20-11-3-1-2-10(18(11)21)13(8-17(28)29)24-19(30)14-7-16(27)26(25-14)15-5-4-9(22)6-12(15)23/h1-7,13,25H,8H2,(H,24,30)(H,28,29)
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| InChIKey |
RJIGPSGMKTUBKR-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