| PDB CCD ID: | LS5 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H15 N5 O3 S |
| InChI: | InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- |
| InChIKey: | DMCRNUMVSATRTP-LCYFTJDESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)NC(=N)N)C(=O)N2 | | CACTVS 3.341 | NC(=N)N[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1 | | CACTVS 3.341 | NC(=N)N[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2 | | ACDLabs 10.04 | O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O |
|
| Name: | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE |
| ChEMBL: | CHEMBL1234089 |
| DrugBank: | DB08126 |
| ZINC: | ZINC000006536092 |
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