| PDB CCD ID: | R90 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C16 H18 N8 O S2 |
| InChI: | InChI=1S/C16H18N8OS2/c17-13-20-23-16(26-13)24-7-6-11(9-24)18-14-21-22-15(27-14)19-12(25)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,17,20)(H,18,21)(H,19,22,25)/t11-/m1/s1 |
| InChIKey: | XEPCFWCPQXKTNL-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Nc1sc(nn1)N2CC[CH](C2)Nc3sc(NC(=O)Cc4ccccc4)nn3 | | OpenEye OEToolkits 3.1.0.0 | c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)N | | CACTVS 3.385 | Nc1sc(nn1)N2CC[C@H](C2)Nc3sc(NC(=O)Cc4ccccc4)nn3 | | OpenEye OEToolkits 3.1.0.0 | c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(C3)c4nnc(s4)N |
|
| Name: | ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide |
| ChEMBL: | CHEMBL4438255 |
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