General Information of the Compound
| Compound ID |
CP0466232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-nitrophenyl) 4-[(3-methylbenzoyl)amino]benzenesulfonate
Show/Hide
|
||||||||||||||||||
| Formula |
C20H16N2O6S
|
||||||||||||||||||
| Molecular Weight |
412.423
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N2O6S/c1-14-4-2-5-15(12-14)20(23)21-16-8-10-19(11-9-16)29(26,27)28-18-7-3-6-17(13-18)22(24)25/h2-13H,1H3,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUHUXAJPBMMFHX-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: PT04714, P2Y purinoceptor 2
Protein ID: PT05781, P2Y purinoceptor 6
Protein ID: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor