General Information of the Compound
| Compound ID |
CP0417267
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| Compound Name |
4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-6,7-dimethoxyquinazolin-2-amine
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| Structure |
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| Formula |
C17H16N8O2
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| Molecular Weight |
364.369
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| Canonical SMILES |
COc1cc2nc(N)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC
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| InChI |
InChI=1S/C17H16N8O2/c1-26-12-7-9-11(8-13(12)27-2)21-16(18)23-15(9)25-17(19)22-14(24-25)10-5-3-4-6-20-10/h3-8H,1-2H3,(H2,18,21,23)(H2,19,22,24)
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| InChIKey |
PQWJXEJMYBADPL-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