General Information of the Compound
| Compound ID |
CP0860306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-Dimethyl-4-{[1-methyl-2-(phenoxymethyl)-1H-benzimidazol-6-yl]oxy}aniline dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
446.378
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Oc2ccc3nc(COc4ccccc4)n(C)c3c2)cc(C)c1N.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N3O2.2ClH/c1-15-11-19(12-16(2)23(15)24)28-18-9-10-20-21(13-18)26(3)22(25-20)14-27-17-7-5-4-6-8-17;;/h4-13H,14,24H2,1-3H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWIHOPYUSOFUCS-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