| PDB CCD ID: | RJS |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H11 Br F N3 O3 S |
| InChI: | InChI=1S/C15H11BrFN3O3S/c16-12-5-4-10(7-13(12)17)9-24(22,23)19-15(21)11-8-18-20-6-2-1-3-14(11)20/h1-8H,9H2,(H,19,21) |
| InChIKey: | LSGXMSZZZZALLZ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c(c3)F)Br | | ACDLabs 12.01 | Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c1cnn2ccccc12 | | CACTVS 3.385 | Fc1cc(C[S](=O)(=O)NC(=O)c2cnn3ccccc23)ccc1Br |
|
| Name: | (8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
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