General Information of the Compound
| Compound ID |
CP0458911
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| Compound Name |
5-phenyl-2-quinazolin-4-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C16H12N6
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| Molecular Weight |
288.314
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| Canonical SMILES |
Nc1nc(nn1-c1ncnc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C16H12N6/c17-16-20-14(11-6-2-1-3-7-11)21-22(16)15-12-8-4-5-9-13(12)18-10-19-15/h1-10H,(H2,17,20,21)
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| InChIKey |
VAGVRGCLFQWPLJ-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