General Information of the Compound
| Compound ID |
CP0510813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chlorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H20ClN3S
|
||||||||||||||||||
| Molecular Weight |
297.855
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(NC(=S)NCCN2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H20ClN3S/c15-12-5-4-6-13(11-12)17-14(19)16-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H2,16,17,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPABCFPMORYBLD-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