General Information of the Compound
| Compound ID |
CP0541037
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| Compound Name |
5-(4-chlorophenyl)-2-quinazolin-4-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C16H11ClN6
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| Molecular Weight |
322.759
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| Canonical SMILES |
Nc1nc(nn1-c1ncnc2ccccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H11ClN6/c17-11-7-5-10(6-8-11)14-21-16(18)23(22-14)15-12-3-1-2-4-13(12)19-9-20-15/h1-9H,(H2,18,21,22)
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| InChIKey |
VVTWSKWCTKZCGO-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