General Information of the Compound
| Compound ID |
CP0127753
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| Compound Name |
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C15H17N7O
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| Molecular Weight |
311.349
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| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(NC(=O)c2ccn(C)n2)n1
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| InChI |
InChI=1S/C15H17N7O/c1-10(2)22-9-16-19-14(22)11-5-4-6-13(17-11)18-15(23)12-7-8-21(3)20-12/h4-10H,1-3H3,(H,17,18,23)
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| InChIKey |
XPBCPSILRZVCHK-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