General Information of the Compound
| Compound ID |
CP0534094
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7R,9S)-N,5-dibenzyl-7,9-dimethyl-7,9-dihydro-6H-pyrimido[5,4-e][1,4]diazepine-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O
|
||||||||||||||||||
| Molecular Weight |
401.514
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2cncnc2[C@H](C)N1C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O/c1-18-15-28(16-21-11-7-4-8-12-21)22-14-25-17-27-23(22)19(2)29(18)24(30)26-13-20-9-5-3-6-10-20/h3-12,14,17-19H,13,15-16H2,1-2H3,(H,26,30)/t18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DCCXCJODTMVNPD-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