General Information of the Compound
| Compound ID |
CP0480137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,4-dimethyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C18H21N3OS2
|
||||||||||||||||||
| Molecular Weight |
359.52
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1c(NC(=S)Nc2ccccc2)sc2CCCC(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N3OS2/c1-11-7-6-10-13-14(11)15(16(22)19-2)17(24-13)21-18(23)20-12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,22)(H2,20,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDGOATQEDQKXLA-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 | |||||||||||||||||||
| 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: PT01013, C-X-C chemokine receptor type 2
Protein ID: PT02059, C-X-C chemokine receptor type 4