| PDB CCD ID: | QKA |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C19 H26 N6 O S |
| InChI: | InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1 |
| InChIKey: | UKXLLHCQBVONES-MPDRSUQMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1CC1CNC(=O)C2CC2C34CN(CC3CSC(=N4)N)c5ncccn5 | | CACTVS 3.385 | C[CH]1C[CH]1CNC(=O)[CH]2C[CH]2[C]34CN(C[CH]3CSC(=N4)N)c5ncccn5 | CACTVS 3.385
OpenEye OEToolkits 2.0.7 | C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5 | | ACDLabs 12.01 | C5C(CNC(=O)C1CC1C34CN(c2ncccn2)CC3CSC(=N4)N)C5C |
|
| Name: | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide |
| ChEMBL: | CHEMBL4643727 |
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