General Information of the Compound
| Compound ID |
CP0401349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-Benzyl-1H-benzoimidazol-2-yl)-{(R)-2-[4-(1-methyl-piperidin-4-yl)-piperazine-1-carbonyl]-pyrrolidin-1-yl}-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38N6O2
|
||||||||||||||||||
| Molecular Weight |
514.674
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)c1nc2ccccc2n1Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38N6O2/c1-32-16-13-24(14-17-32)33-18-20-34(21-19-33)29(37)27-12-7-15-35(27)30(38)28-31-25-10-5-6-11-26(25)36(28)22-23-8-3-2-4-9-23/h2-6,8-11,24,27H,7,12-22H2,1H3/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMIBGRJDGXGXSR-HHHXNRCGSA-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