General Information of the Compound
| Compound ID |
CP0558279
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| Compound Name |
N-[(2-chloro-6-fluorophenyl)methyl]-5-phenyl-1H-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C15H12ClFN4
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| Molecular Weight |
302.74
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| Canonical SMILES |
Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C15H12ClFN4/c16-12-7-4-8-13(17)11(12)9-18-15-19-14(20-21-15)10-5-2-1-3-6-10/h1-8H,9H2,(H2,18,19,20,21)
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| InChIKey |
YFJVZDLGOGONKG-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