General Information of the Compound
| Compound ID |
CP0529148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-N-(1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-1-oxobutan-2-yl)-1H-benzo[d]imidazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N6O2
|
||||||||||||||||||
| Molecular Weight |
502.663
|
||||||||||||||||||
| Canonical SMILES |
CCC(NC(=O)c1nc2ccccc2n1Cc1ccccc1)C(=O)N1CCN(CC1)C1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N6O2/c1-3-24(29(37)34-19-17-33(18-20-34)23-13-15-32(2)16-14-23)31-28(36)27-30-25-11-7-8-12-26(25)35(27)21-22-9-5-4-6-10-22/h4-12,23-24H,3,13-21H2,1-2H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKRRVTHRMWCRLQ-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