QAJ
Summary
| Name: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide |
| Formula: | C23 H24 N10 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 536.632 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-pyridin-3-yl-~{N}-[5-[[1-[5-(2-pyridin-3-ylethanoylamino)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCC(CC1)Nc3nnc(NC(Cc2cccnc2)=O)s3)c4sc(nn4)NC(=O)Cc5cccnc5 |
| InChI | InChI | 1.03 | InChI=1S/C23H24N10O2S2/c34-18(11-15-3-1-7-24-13-15)27-21-30-29-20(36-21)26-17-5-9-33(10-6-17)23-32-31-22(37-23)28-19(35)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,29)(H,27,30,34)(H,28,31,35) |
| InChIKey | InChI | 1.03 | UQDLJRCGWUXXGY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccnc1)Nc2sc(NC3CCN(CC3)c4sc(NC(=O)Cc5cccnc5)nn4)nn2 |
| SMILES | CACTVS | 3.385 | O=C(Cc1cccnc1)Nc2sc(NC3CCN(CC3)c4sc(NC(=O)Cc5cccnc5)nn4)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5 |
