| PDB CCD ID: | 2HB |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C21 H23 N5 O3 S |
| InChI: | InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) |
| InChIKey: | RIJLVEAXPNLDTC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5 | | ACDLabs 12.01 | O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5 | | CACTVS 3.385 | O=C(Nc1nn2c(cccc2c3ccc(CN4CC[S](=O)(=O)CC4)cc3)n1)C5CC5 |
|
| Name: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;
G146034 |
| ChEMBL: | CHEMBL3301607 |
| DrugBank: | DB14845 |
| ZINC: | ZINC000096174616 |
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