General Information of the Compound
| Compound ID |
CP0376973
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-1,13-diazatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H19ClN2
|
||||||||||||||||||
| Molecular Weight |
250.773
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2N3CCCNCCC3CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H19ClN2/c15-12-3-5-14-11(10-12)2-4-13-6-8-16-7-1-9-17(13)14/h3,5,10,13,16H,1-2,4,6-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGARNHVKTVUAKJ-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C