General Information of the Compound
Compound ID |
CP0469278
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Compound Name |
2-(7-chloroquinazolin-4-yl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
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Structure |
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Formula |
C17H13ClN6O
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Molecular Weight |
352.785
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Canonical SMILES |
COc1ccc(cc1)-c1nc(N)n(n1)-c1ncnc2cc(Cl)ccc12
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InChI |
InChI=1S/C17H13ClN6O/c1-25-12-5-2-10(3-6-12)15-22-17(19)24(23-15)16-13-7-4-11(18)8-14(13)20-9-21-16/h2-9H,1H3,(H2,19,22,23)
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InChIKey |
YSMQTSQELPAIDR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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