General Information of the Compound
| Compound ID |
CP0479647
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-amino-4-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15ClFN5O
|
||||||||||||||||||
| Molecular Weight |
347.781
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1N)-c1n[nH]c(NCc2c(F)cccc2Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15ClFN5O/c1-24-14-6-5-9(7-13(14)19)15-21-16(23-22-15)20-8-10-11(17)3-2-4-12(10)18/h2-7H,8,19H2,1H3,(H2,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMAZTHVENPJMML-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound