General Information of the Compound
| Compound ID |
CP0417268
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| Compound Name |
2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C21H23N7O4
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| Molecular Weight |
437.46
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| Canonical SMILES |
COCCOc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCOC
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| InChI |
InChI=1S/C21H23N7O4/c1-29-7-9-31-17-11-14-16(12-18(17)32-10-8-30-2)24-13-25-20(14)28-21(22)26-19(27-28)15-5-3-4-6-23-15/h3-6,11-13H,7-10H2,1-2H3,(H2,22,26,27)
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| InChIKey |
PBIMPTFJHKSFEY-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