General Information of the Compound
| Compound ID |
CP0455665
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| Compound Name |
2-[6-[2-[di(propan-2-yl)amino]ethoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C24H30N8O2
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| Molecular Weight |
462.558
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN(C(C)C)C(C)C
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| InChI |
InChI=1S/C24H30N8O2/c1-15(2)31(16(3)4)10-11-34-21-12-17-19(13-20(21)33-5)27-14-28-23(17)32-24(25)29-22(30-32)18-8-6-7-9-26-18/h6-9,12-16H,10-11H2,1-5H3,(H2,25,29,30)
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| InChIKey |
SMKIYQJARBFROF-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