General Information of the Compound
| Compound ID |
CP0547330
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| Compound Name |
1-[(4-cyanophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C20H16N4O3
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| Molecular Weight |
360.373
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1cc(nn1Cc1ccc(cc1)C#N)C(O)=O
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| InChI |
InChI=1S/C20H16N4O3/c1-13-2-8-16(9-3-13)19(25)22-18-10-17(20(26)27)23-24(18)12-15-6-4-14(11-21)5-7-15/h2-10H,12H2,1H3,(H,22,25)(H,26,27)
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| InChIKey |
CMDILTPAGJKVAM-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