General Information of the Compound
| Compound ID |
CP0574982
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| Compound Name |
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H18N4O
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| Molecular Weight |
342.402
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| Canonical SMILES |
Cc1nn(c(C)c1C(=O)Nc1ccc2ccccc2n1)-c1ccccc1
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| InChI |
InChI=1S/C21H18N4O/c1-14-20(15(2)25(24-14)17-9-4-3-5-10-17)21(26)23-19-13-12-16-8-6-7-11-18(16)22-19/h3-13H,1-2H3,(H,22,23,26)
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| InChIKey |
VBYNHIJGYCRJLN-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