General Information of the Compound
| Compound ID |
CP0540783
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| Compound Name |
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C20H20N8O2
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| Molecular Weight |
404.434
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| Canonical SMILES |
COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1ccccn1
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| InChI |
InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)15-7-6-8-16(23-15)24-19(29)14-11-28(26-20(14)30-3)17-9-4-5-10-21-17/h4-13H,1-3H3,(H,23,24,29)
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| InChIKey |
BLKPAPOAEPCQQA-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