General Information of the Compound
| Compound ID |
CP0295176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-4-((cyclohexylmethyl)(1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl)amino)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24ClN5
|
||||||||||||||||||
| Molecular Weight |
357.889
|
||||||||||||||||||
| Canonical SMILES |
CC(N(CC1CCCCC1)c1ccc(C#N)c(Cl)c1)c1nncn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24ClN5/c1-14(19-23-22-13-24(19)2)25(12-15-6-4-3-5-7-15)17-9-8-16(11-21)18(20)10-17/h8-10,13-15H,3-7,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLFJWWQCQZUSSI-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