General Information of the Compound
| Compound ID |
CP0446069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3R,5S)-1-benzyl-3,5-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(oxan-4-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N2O2
|
||||||||||||||||||
| Molecular Weight |
378.516
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)C1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N2O2/c1-18-16-25(17-20-8-4-3-5-9-20)23-11-7-6-10-22(23)19(2)26(18)24(27)21-12-14-28-15-13-21/h3-11,18-19,21H,12-17H2,1-2H3/t18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLMCQAIJZSREEK-MOPGFXCFSA-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