General Information of the Compound
| Compound ID |
CP0538389
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| Compound Name |
2-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C22H25N9O2
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| Molecular Weight |
447.503
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| Canonical SMILES |
COc1cc2nc(nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H25N9O2/c1-29-8-10-30(11-9-29)22-25-16-13-18(33-3)17(32-2)12-14(16)20(27-22)31-21(23)26-19(28-31)15-6-4-5-7-24-15/h4-7,12-13H,8-11H2,1-3H3,(H2,23,26,28)
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| InChIKey |
QGZOOYARNHFVKP-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