| PDB CCD ID: | 6TY |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H17 N3 O2 S |
| InChI: | InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m1/s1 |
| InChIKey: | BDVFVCGFMNCYPV-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CC1CNCCN1S(=O)(=O)c2cccc3c2ccnc3 | | CACTVS 3.385 | C[C@@H]1CNCCN1[S](=O)(=O)c2cccc3cnccc23 | | OpenEye OEToolkits 2.0.5 | C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3 | | CACTVS 3.385 | C[CH]1CNCCN1[S](=O)(=O)c2cccc3cnccc23 |
|
| Name: | 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline |
| ChEMBL: | CHEMBL1318551 |
| ZINC: | ZINC000034800306 |
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