General Information of the Compound
| Compound ID |
CP0552271
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| Compound Name |
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C22H20N8O
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| Molecular Weight |
412.457
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| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cc(ccc3[nH]2)-c2cn[nH]c2)n1
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| InChI |
InChI=1S/C22H20N8O/c1-13(2)30-12-25-29-21(30)18-4-3-5-20(27-18)28-22(31)19-9-15-8-14(6-7-17(15)26-19)16-10-23-24-11-16/h3-13,26H,1-2H3,(H,23,24)(H,27,28,31)
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| InChIKey |
CCPVZOJLKCKCHU-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