General Information of the Compound
| Compound ID |
CP0479646
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| Compound Name |
5-(3-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C15H13ClFN5
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| Molecular Weight |
317.755
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| Canonical SMILES |
Nc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1
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| InChI |
InChI=1S/C15H13ClFN5/c16-12-5-2-6-13(17)11(12)8-19-15-20-14(21-22-15)9-3-1-4-10(18)7-9/h1-7H,8,18H2,(H2,19,20,21,22)
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| InChIKey |
SHCJFEFQZWRVRD-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