General Information of the Compound
| Compound ID |
CP0579803
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| Compound Name |
1-[(3-methoxyphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C20H19N3O4
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| Molecular Weight |
365.389
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| Canonical SMILES |
COc1cccc(Cn2nc(cc2NC(=O)c2ccc(C)cc2)C(O)=O)c1
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| InChI |
InChI=1S/C20H19N3O4/c1-13-6-8-15(9-7-13)19(24)21-18-11-17(20(25)26)22-23(18)12-14-4-3-5-16(10-14)27-2/h3-11H,12H2,1-2H3,(H,21,24)(H,25,26)
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| InChIKey |
JLRHBIAYPNDXJV-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