General Information of the Compound
| Compound ID |
CP0577060
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4-nitrophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11N3O5S
|
||||||||||||||||||
| Molecular Weight |
345.336
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11N3O5S/c19-14(9-1-6-12-13(7-9)23-8-22-12)17-15(24)16-10-2-4-11(5-3-10)18(20)21/h1-7H,8H2,(H2,16,17,19,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTVIWYGIKNJZKP-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 | |||||||||||||||||||
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: PT04148, P2X purinoceptor 2
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT03949, P2X purinoceptor 5
Protein ID: PT01449, P2X purinoceptor 7