| PDB CCD ID: | LH7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H18 F N3 O3 S |
| InChI: | InChI=1S/C16H18FN3O3S/c1-11-15(9-19-20(11)14-6-7-24(22,23)10-14)16(21)18-8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,21)/t14-/m0/s1 |
| InChIKey: | CCMSFWYJLMKKKU-AWEZNQCLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | Cc1c(cnn1C2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F | | CACTVS 3.385 | Cc1n(ncc1C(=O)NCc2ccc(F)cc2)[C@H]3CC[S](=O)(=O)C3 | | OpenEye OEToolkits 2.0.6 | Cc1c(cnn1[C@H]2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F | | CACTVS 3.385 | Cc1n(ncc1C(=O)NCc2ccc(F)cc2)[CH]3CC[S](=O)(=O)C3 | | ACDLabs 12.01 | n2n(C1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F)=O |
|
| Name: | 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide |
| ChEMBL: | CHEMBL4906424 |
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