General Information of the Compound
| Compound ID |
CP0541038
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| Compound Name |
5-(4-methoxyphenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C17H14N6O
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| Molecular Weight |
318.34
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(N)n(n1)-c1ncnc2ccccc12
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| InChI |
InChI=1S/C17H14N6O/c1-24-12-8-6-11(7-9-12)15-21-17(18)23(22-15)16-13-4-2-3-5-14(13)19-10-20-16/h2-10H,1H3,(H2,18,21,22)
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| InChIKey |
MMZQQABYVRYLSC-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