| PDB CCD ID: | KZS |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C20 H38 N4 O2 |
| InChI: | InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23) |
| InChIKey: | SPEGERVLTUWZPA-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCOCC1(CCC(CC1)c2[nH]ncc2CN(C)CCNC)COCC | | OpenEye OEToolkits 2.0.7 | CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC | | ACDLabs 12.01 | CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC |
|
| Name: | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine;
GSK3368715 |
umich.edu