| PDB CCD ID: | F21 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H19 F N2 O2 S2 |
| InChI: | InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1 |
| InChIKey: | SBUKSNPHYWXCDG-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF | | ACDLabs 10.04 | O=S(=O)(N1CCSCC1)c2ccc3c(c2)CNC(CF)C3 | | CACTVS 3.341 | FC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)N3CCSCC3 | | OpenEye OEToolkits 1.5.0 | c1cc2c(cc1S(=O)(=O)N3CCSCC3)CNC(C2)CF | | CACTVS 3.341 | FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)N3CCSCC3 |
|
| Name: | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE;
3-FLUOROMETHYL 7-THIOMORPHOLINOSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE |
| ChEMBL: | CHEMBL177749 |
| DrugBank: | DB07739 |
| ZINC: | ZINC000013581950 |
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