General Information of the Compound
| Compound ID |
CP0859081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(-)-((1R,2R)-2-(5-chloro-2-(cyclopropylmethoxy)phenyl)cyclopropyl)methanamine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H19Cl2NO
|
||||||||||||||||||
| Molecular Weight |
288.218
|
||||||||||||||||||
| Canonical SMILES |
Cl.NC[C@@H]1C[C@H]1c1cc(Cl)ccc1OCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18ClNO.ClH/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16;/h3-4,6,9-10,12H,1-2,5,7-8,16H2;1H/t10-,12+;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADBDSUXLKBQQCE-XOZOLZJESA-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