General Information of the Compound
| Compound ID |
CP0473402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-N-(3-morpholin-4-ylphenyl)-3-propan-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N4O2
|
||||||||||||||||||
| Molecular Weight |
484.644
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(=O)Nc1cccc(c1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N4O2/c1-23(2)29-22-33(20-24-9-4-3-5-10-24)28-14-7-6-11-25(28)21-34(29)30(35)31-26-12-8-13-27(19-26)32-15-17-36-18-16-32/h3-14,19,23,29H,15-18,20-22H2,1-2H3,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDOGYIAVCDBKED-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
Protein ID: PT05422, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3