| PDB CCD ID: | OWI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C32 H48 N4 O4 S2 |
| InChI: | InChI=1S/C32H48N4O4S2/c1-27-12-16-31(17-13-27)41(37,38)35-22-8-20-34(26-29-10-6-5-7-11-29)21-9-23-36(25-28(2)24-35)42(39,40)32-18-14-30(15-19-32)33(3)4/h12-19,29H,2,5-11,20-26H2,1,3-4H3 |
| InChIKey: | JWLBLCMSJYGCFH-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | Cc1ccc(cc1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)c3ccc(cc3)N(C)C)CC4CCCCC4 | | CACTVS 3.385 | CN(C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C)C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4 |
|
| Name: | 4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline |
| ChEMBL: | CHEMBL3794629 |
| ZINC: | ZINC000205637096 |
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