Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8R7CO
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| Ligand Name |
(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
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| Synonyms |
CHEMBL4637426; (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine; BACE1/2-IN-1; BDBM50540172; HY-147758; QK7
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| Structure |
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Download2D MOL |
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| Formula |
C21H31N5OS
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| Canonical SMILES |
CC1CC1COC(C)(C)C2CC2C34CN(CC3CSC(=N4)N)C5=NC=CC=N5
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| InChI |
1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1
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| InChIKey |
BFGQEVKVRRYAQC-IFEDNLKFSA-N
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| PubChem Compound ID | ||||
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