General Information of the Compound
| Compound ID |
CP0091827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[3-(carboxymethylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15NO7S2
|
||||||||||||||||||
| Molecular Weight |
433.463
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIERPRDYPKVDJO-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 | |||||||||||||||||||