General Information of the Compound
| Compound ID |
CP0453312
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| Compound Name |
3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C19H16FN3O4
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| Molecular Weight |
369.352
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| Canonical SMILES |
OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccccc1
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| InChI |
InChI=1S/C19H16FN3O4/c20-13-8-4-5-9-16(13)23-17(24)10-15(22-23)19(27)21-14(11-18(25)26)12-6-2-1-3-7-12/h1-10,14,22H,11H2,(H,21,27)(H,25,26)
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| InChIKey |
WCOPBGMZNVJCMU-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