General Information of the Compound
| Compound ID |
CP0252589
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| Compound Name |
3-[[2-(4-chlorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2,5-dichlorophenyl)propanoic acid
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| Structure |
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| Formula |
C19H14Cl3N3O4
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| Molecular Weight |
454.697
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| Canonical SMILES |
OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl
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| InChI |
InChI=1S/C19H14Cl3N3O4/c20-10-1-4-12(5-2-10)25-17(26)8-16(24-25)19(29)23-15(9-18(27)28)13-7-11(21)3-6-14(13)22/h1-8,15,24H,9H2,(H,23,29)(H,27,28)
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| InChIKey |
DAGLTSXJYHDYLM-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