PDB CCD ID: | 0YK |
Number of entries in BioLiP: | 6 |
Chemical formula: | C19 H23 N3 O3 S |
InChI: | InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3 |
InChIKey: | PXJBHEHFVQVDDS-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | CC1=CN2CC[S](=O)(=O)N=C2C(=N1)c3ccc(OC4CCCCC4)cc3 | OpenEye OEToolkits 2.0.7 | CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4 |
|
Name: | 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide |
ChEMBL: | CHEMBL4594403 |
DrugBank: | DB16304 |