| PDB CCD ID: | 6G1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H25 N3 O3 S |
| InChI: | InChI=1S/C20H25N3O3S/c24-20(16-5-2-1-3-6-16)22-11-13-23(14-12-22)27(25,26)19-8-4-7-17-15-21-10-9-18(17)19/h4,7-10,15-16H,1-3,5-6,11-14H2 |
| InChIKey: | RQGSIJUNMAAIRB-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C(C1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34 | | ACDLabs 12.01 | C1CN(CCN1C(=O)C2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4 | | OpenEye OEToolkits 2.0.4 | c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4 |
|
| Name: | cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone |
| ChEMBL: | CHEMBL4457622 |
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