General Information of the Compound
| Compound ID |
CP0444163
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,5S)-3,5-dimethyl-1-(3-methylbutyl)-N-pyridin-3-yl-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29N5O
|
||||||||||||||||||
| Molecular Weight |
367.497
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCN1C[C@@H](C)N([C@@H](C)c2ccncc12)C(=O)Nc1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N5O/c1-15(2)8-11-25-14-16(3)26(17(4)19-7-10-23-13-20(19)25)21(27)24-18-6-5-9-22-12-18/h5-7,9-10,12-13,15-17H,8,11,14H2,1-4H3,(H,24,27)/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLIKJYGXUGWLOZ-SJORKVTESA-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