General Information of the Compound
| Compound ID |
CP0569950
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| Compound Name |
ethyl 2-[[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-6,7-dimethoxyquinazolin-2-yl]amino]acetate
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| Structure |
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| Formula |
C21H22N8O4
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| Molecular Weight |
450.459
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| Canonical SMILES |
CCOC(=O)CNc1nc(-n2nc(nc2N)-c2ccccn2)c2cc(OC)c(OC)cc2n1
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| InChI |
InChI=1S/C21H22N8O4/c1-4-33-17(30)11-24-21-25-14-10-16(32-3)15(31-2)9-12(14)19(27-21)29-20(22)26-18(28-29)13-7-5-6-8-23-13/h5-10H,4,11H2,1-3H3,(H2,22,26,28)(H,24,25,27)
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| InChIKey |
MNHMEUOOKJLEBW-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