General Information of the Compound
| Compound ID |
CP0541434
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| Compound Name |
2-(7-chloroquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C15H10ClN7
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| Molecular Weight |
323.747
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| Canonical SMILES |
Nc1nc(nn1-c1ncnc2cc(Cl)ccc12)-c1ccccn1
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| InChI |
InChI=1S/C15H10ClN7/c16-9-4-5-10-12(7-9)19-8-20-14(10)23-15(17)21-13(22-23)11-3-1-2-6-18-11/h1-8H,(H2,17,21,22)
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| InChIKey |
TVLWPCKKRXODOA-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