| PDB CCD ID: | S50 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H19 N5 O2 S |
| InChI: | InChI=1S/C16H19N5O2S/c1-11-8-15(21(19-11)14-4-2-3-5-14)24(22,23)20-13-9-12-6-7-17-16(12)18-10-13/h6-10,14,20H,2-5H2,1H3,(H,17,18) |
| InChIKey: | RJFXVLMCNRXHDX-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1cc(n(n1)C2CCCC2)[S](=O)(=O)Nc3cnc4[nH]ccc4c3 | | OpenEye OEToolkits 2.0.7 | Cc1cc(n(n1)C2CCCC2)S(=O)(=O)Nc3cc4cc[nH]c4nc3 | | ACDLabs 12.01 | O=S(=O)(Nc1cc2cc[NH]c2nc1)c1cc(C)nn1C1CCCC1 |
|
| Name: | 1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide |
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