General Information of the Compound
| Compound ID |
CP0347958
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)aniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClN4
|
||||||||||||||||||
| Molecular Weight |
338.842
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClN4/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12,21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCWFBOFEKMTOAY-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