General Information of the Compound
| Compound ID |
CP0001363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[(salicyloylamino)thiocarbamoyl]-3-(2-thienyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13N3O3S2
|
||||||||||||||||||
| Molecular Weight |
347.421
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13N3O3S2/c19-12-6-2-1-5-11(12)14(21)17-18-15(22)16-13(20)8-7-10-4-3-9-23-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLPUJWSXECGHJW-BQYQJAHWSA-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: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8