General Information of the Compound
| Compound ID |
CP0525548
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| Compound Name |
3-(5-fluoro-2-methylphenyl)-3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C20H17F2N3O4
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| Molecular Weight |
401.369
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| Canonical SMILES |
Cc1ccc(F)cc1C(CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
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| InChI |
InChI=1S/C20H17F2N3O4/c1-11-6-7-12(21)8-13(11)15(10-19(27)28)23-20(29)16-9-18(26)25(24-16)17-5-3-2-4-14(17)22/h2-9,15,24H,10H2,1H3,(H,23,29)(H,27,28)
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| InChIKey |
RBEZSHHCHZQMGK-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