General Information of the Compound
| Compound ID |
CP0543093
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| Compound Name |
1-(2-chlorophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H17ClN4O
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| Molecular Weight |
376.847
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| Canonical SMILES |
Cc1nn(c(C)c1C(=O)Nc1ccc2ccccc2n1)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H17ClN4O/c1-13-20(14(2)26(25-13)18-10-6-4-8-16(18)22)21(27)24-19-12-11-15-7-3-5-9-17(15)23-19/h3-12H,1-2H3,(H,23,24,27)
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| InChIKey |
GROGQMBKYAHEBV-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