| PDB CCD ID: | Q94 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C12 H16 N8 O2 S2 |
| InChI: | InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1 |
| InChIKey: | YVDVVIJXVARLFM-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)Nc1sc(N[CH]2CCN(C2)c3sc(NC(C)=O)nn3)nn1 | | OpenEye OEToolkits 2.0.7 | CC(=O)Nc1nnc(s1)NC2CCN(C2)c3nnc(s3)NC(=O)C | | OpenEye OEToolkits 2.0.7 | CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C | | ACDLabs 12.01 | c3(N1CCC(C1)Nc2nnc(NC(C)=O)s2)sc(nn3)NC(C)=O | | CACTVS 3.385 | CC(=O)Nc1sc(N[C@@H]2CCN(C2)c3sc(NC(C)=O)nn3)nn1 |
|
| Name: | N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide |
| ChEMBL: | CHEMBL3769558 |
| ZINC: | ZINC000653715028 |
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