PDB CCD ID: | G1U |
Number of entries in BioLiP: | 1 |
Chemical formula: | C18 H26 N4 O S |
InChI: | InChI=1S/C18H26N4OS/c1-4-14-17(12(3)23)11(2)20-18(14)15-10-24-16(21-15)9-22-7-5-13(19)6-8-22/h10,13,20H,4-9,19H2,1-3H3 |
InChIKey: | XYCAHFXOGWMTBZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | CCc1c(c([nH]c1c2csc(n2)CN3CCC(CC3)N)C)C(=O)C | CACTVS 3.385 | CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCC(N)CC3)n2 |
|
Name: | 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
ChEMBL: | CHEMBL5206608 |