General Information of the Compound
| Compound ID |
CP0469222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzyl-8-(2-{1-[4-(4,5-dihydro-1H-imidazol-2-yl)-benzyl]-piperidin-4-yl}-ethoxy)-2,3,4,5-tetrahydro-benzo[c]azepin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40N4O2
|
||||||||||||||||||
| Molecular Weight |
536.72
|
||||||||||||||||||
| Canonical SMILES |
O=C1N(Cc2ccccc2)CCCc2ccc(OCCC3CCN(Cc4ccc(cc4)C4=NCCN4)CC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40N4O2/c39-34-32-23-31(13-12-29(32)7-4-19-38(34)25-27-5-2-1-3-6-27)40-22-16-26-14-20-37(21-15-26)24-28-8-10-30(11-9-28)33-35-17-18-36-33/h1-3,5-6,8-13,23,26H,4,7,14-22,24-25H2,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQHZDSVMOMDHQQ-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