General Information of the Compound
| Compound ID |
CP0532988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3R,5S)-1-benzyl-3,5-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-morpholin-4-ylethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O2
|
||||||||||||||||||
| Molecular Weight |
393.531
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)CN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O2/c1-19-16-26(17-21-8-4-3-5-9-21)23-11-7-6-10-22(23)20(2)27(19)24(28)18-25-12-14-29-15-13-25/h3-11,19-20H,12-18H2,1-2H3/t19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBDJXMGCCIXNOE-UXHICEINSA-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I