General Information of the Compound
| Compound ID |
CP0454626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H18ClN3OS
|
||||||||||||||||||
| Molecular Weight |
299.827
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(NC(=S)NCCN2CCOCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H18ClN3OS/c14-11-2-1-3-12(10-11)16-13(19)15-4-5-17-6-8-18-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWMQKYLDVZTOBE-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: PT03099, Acetylcholinesterase
Protein ID: PT06109, Geminin