General Information of the Compound
| Compound ID |
CP0374096
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Chloro-benzoyl)-3-(1,1-dioxo-1H-1lambda*6*-benzo[b]thiophen-6-yl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
362.794
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1C(=O)NC(=O)Nc1ccc2C=CS(=O)(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11ClN2O4S/c17-13-4-2-1-3-12(13)15(20)19-16(21)18-11-6-5-10-7-8-24(22,23)14(10)9-11/h1-9H,(H2,18,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKADZDQTJJUSFA-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