PDB CCD ID: | GKI |
Number of entries in BioLiP: | 4 |
Chemical formula: | C19 H28 N4 O S |
InChI: | InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3 |
InChIKey: | FEVXGFVVUGZYTO-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C | CACTVS 3.385 | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 |
|
Name: | 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
ChEMBL: | CHEMBL5172147 |