General Information of the Compound
| Compound ID |
CP0903004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-tert-Butylphenyl)-4-(4-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32FN7
|
||||||||||||||||||
| Molecular Weight |
461.589
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cn(CCF)nn5)CC4)cccc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32FN7/c1-26(2,3)20-9-7-19(8-10-20)25-28-22-5-4-6-23(24(22)29-25)33-15-13-32(14-16-33)17-21-18-34(12-11-27)31-30-21/h4-10,18H,11-17H2,1-3H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGUUVUUXRHUBRU-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