General Information of the Compound
| Compound ID |
CP0508538
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| Compound Name |
2-(6,7-dimethoxy-2-phenylquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C23H19N7O2
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| Molecular Weight |
425.452
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| Canonical SMILES |
COc1cc2nc(nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC)-c1ccccc1
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| InChI |
InChI=1S/C23H19N7O2/c1-31-18-12-15-17(13-19(18)32-2)26-20(14-8-4-3-5-9-14)27-22(15)30-23(24)28-21(29-30)16-10-6-7-11-25-16/h3-13H,1-2H3,(H2,24,28,29)
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| InChIKey |
KNCIECCZJDGVJH-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