General Information of the Compound
| Compound ID |
CP0532842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32N6O2
|
||||||||||||||||||
| Molecular Weight |
508.626
|
||||||||||||||||||
| Canonical SMILES |
O=C(C1CCN(CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1)N1CCN(CC1)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32N6O2/c37-29(35-20-18-33(19-21-35)25-10-14-31-15-11-25)24-12-16-34(17-13-24)30(38)28-32-26-8-4-5-9-27(26)36(28)22-23-6-2-1-3-7-23/h1-11,14-15,24H,12-13,16-22H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTXJODQXRHMMBE-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