General Information of the Compound
| Compound ID |
CP0415807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-piperazin-1-ylbenzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32ClFN6
|
||||||||||||||||||
| Molecular Weight |
471.024
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(Cl)cc2n(Cc3cc(C)c(F)c(C)c3)c(nc12)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32ClFN6/c1-17-12-19(13-18(2)23(17)27)16-33-22-15-20(26)14-21(31-10-8-30(3)9-11-31)24(22)29-25(33)32-6-4-28-5-7-32/h12-15,28H,4-11,16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAFVPHKBLSOUIV-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