General Information of the Compound
| Compound ID |
CP0417270
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| Compound Name |
2-(6,7-dimethoxyquinazolin-4-yl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C19H18N6O3
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| Molecular Weight |
378.392
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(N)n(n1)-c1ncnc2cc(OC)c(OC)cc12
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| InChI |
InChI=1S/C19H18N6O3/c1-26-12-6-4-11(5-7-12)17-23-19(20)25(24-17)18-13-8-15(27-2)16(28-3)9-14(13)21-10-22-18/h4-10H,1-3H3,(H2,20,23,24)
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| InChIKey |
OSLTZDMHTAYQIY-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