General Information of the Compound
| Compound ID |
CP0417120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[1-[3-[[1-(4-methoxyphenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N5O2
|
||||||||||||||||||
| Molecular Weight |
497.643
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1c(NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N5O2/c1-22(36)32-25-8-5-7-24(21-25)23-15-19-34(20-16-23)18-6-17-31-30-33-28-9-3-4-10-29(28)35(30)26-11-13-27(37-2)14-12-26/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,31,33)(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBKLTELQROWYAV-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