General Information of the Compound
| Compound ID |
CP0508540
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| Compound Name |
2-(6,7-difluoroquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C15H9F2N7
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| Molecular Weight |
325.282
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| Canonical SMILES |
Nc1nc(nn1-c1ncnc2cc(F)c(F)cc12)-c1ccccn1
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| InChI |
InChI=1S/C15H9F2N7/c16-9-5-8-12(6-10(9)17)20-7-21-14(8)24-15(18)22-13(23-24)11-3-1-2-4-19-11/h1-7H,(H2,18,22,23)
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| InChIKey |
AYLKOCPUGNHJMY-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