| PDB CCD ID: | UO2 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H21 N5 O3 S |
| InChI: | InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1 |
| InChIKey: | HKVYLIVZRUYPKC-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1 | | CACTVS 3.385 | C[CH](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1 | | OpenEye OEToolkits 2.0.7 | CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N | | OpenEye OEToolkits 2.0.7 | C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N |
|
| Name: | (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide |
umich.edu