General Information of the Compound
| Compound ID |
CP0486156
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-chloro-2-methoxyphenyl)-N-(2,4-dimethylpentan-3-yl)-1-methyl-N-propyl-1,2,4-triazol-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H31ClN4O
|
||||||||||||||||||
| Molecular Weight |
378.948
|
||||||||||||||||||
| Canonical SMILES |
CCCN(C(C(C)C)C(C)C)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H31ClN4O/c1-8-11-25(18(13(2)3)14(4)5)20-22-19(24(6)23-20)16-10-9-15(21)12-17(16)26-7/h9-10,12-14,18H,8,11H2,1-7H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJFZEWYWLVQUCG-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