General Information of the Compound
| Compound ID |
CP0456699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S)-7,8-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H13Cl2N
|
||||||||||||||||||
| Molecular Weight |
230.138
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CNCCc2cc(Cl)c(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H13Cl2N/c1-7-6-14-3-2-8-4-10(12)11(13)5-9(7)8/h4-5,7,14H,2-3,6H2,1H3/t7-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTCVEIAEKPSBCJ-SSDOTTSWSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C