General Information of the Compound
| Compound ID |
CP0397482
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| Compound Name |
3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-(4-phenoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C25H21N3O5
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| Molecular Weight |
443.459
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| Canonical SMILES |
OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H21N3O5/c29-23-15-22(27-28(23)18-7-3-1-4-8-18)25(32)26-21(16-24(30)31)17-11-13-20(14-12-17)33-19-9-5-2-6-10-19/h1-15,21,27H,16H2,(H,26,32)(H,30,31)
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| InChIKey |
WCERXIPSPJLCLF-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