General Information of the Compound
| Compound ID |
CP0350418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]-N-(cyclopropylmethyl)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34Cl2N4OS
|
||||||||||||||||||
| Molecular Weight |
533.569
|
||||||||||||||||||
| Canonical SMILES |
Cl.COc1ccc(Cl)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33ClN4OS.ClH/c1-31-26(20-7-4-3-5-8-20)29-30-27(31)34-14-6-13-32(17-19-9-10-19)18-21-15-23(21)24-16-22(28)11-12-25(24)33-2;/h3-5,7-8,11-12,16,19,21,23H,6,9-10,13-15,17-18H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMWNOTWKMBPIIJ-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor