General Information of the Compound
| Compound ID |
CP0427208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2,5-dimethylpyrazol-3-yl)-3-[4-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-yl]-1,2,4,5-tetrahydro-3-benzazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37N7S
|
||||||||||||||||||
| Molecular Weight |
551.764
|
||||||||||||||||||
| Canonical SMILES |
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2ccc(cc2CC1)-c1cc(C)nn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N7S/c1-21-9-12-27-28(7-6-8-29(27)33-21)31-34-35-32(37(31)4)40-18-15-23(3)39-16-13-24-10-11-26(20-25(24)14-17-39)30-19-22(2)36-38(30)5/h6-12,19-20,23H,13-18H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZIIORPIORBBJU-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2