General Information of the Compound
| Compound ID |
CP0567991
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| Compound Name |
1-(cyclohexylmethyl)-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C19H23N3O3
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| Molecular Weight |
341.411
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1cc(nn1CC1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C19H23N3O3/c1-13-7-9-15(10-8-13)18(23)20-17-11-16(19(24)25)21-22(17)12-14-5-3-2-4-6-14/h7-11,14H,2-6,12H2,1H3,(H,20,23)(H,24,25)
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| InChIKey |
BBAXEIDKTUUHRA-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