| PDB CCD ID: | 70Q |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C24 H22 N4 O4 S |
| InChI: | InChI=1S/C24H22N4O4S/c1-27(2)33(31,32)19-12-8-11-18(15-19)25-23(29)22-20-13-6-7-14-21(20)24(30)28(26-22)16-17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,25,29) |
| InChIKey: | OJXRUHXUBUPFDA-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4 | | CACTVS 3.385 | CN(C)[S](=O)(=O)c1cccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)c4ccccc24)c1 | | ACDLabs 12.01 | C2(C(Nc1cccc(S(=O)(=O)N(C)C)c1)=O)=NN(C(c3ccccc23)=O)Cc4ccccc4 |
|
| Name: | 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| ZINC: | ZINC000012540089 |
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