Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJ79MF
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| Ligand Name |
(1r,2s,3r,5r)-3-{[5-(1,3-Benzothiazol-2-Yl)-2-(Propylamino)pyrimidin-4-Yl]amino}-5-(Hydroxymethyl)cyclopentane-1,2-Diol
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| Synonyms |
CHEMBL3403447; (1r,2s,3r,5r)-3-{[5-(1,3-Benzothiazol-2-Yl)-2-(Propylamino)pyrimidin-4-Yl]amino}-5-(Hydroxymethyl)cyclopentane-1,2-Diol; SCHEMBL21105799; BDBM50068472; Q27454921; 4S1
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| Structure |
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Download2D MOL |
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| Formula |
C20H25N5O3S
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| Canonical SMILES |
CCCNC1=NC=C(C(=N1)NC2CC(C(C2O)O)CO)C3=NC4=CC=CC=C4S3
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| InChI |
1S/C20H25N5O3S/c1-2-7-21-20-22-9-12(19-24-13-5-3-4-6-15(13)29-19)18(25-20)23-14-8-11(10-26)16(27)17(14)28/h3-6,9,11,14,16-17,26-28H,2,7-8,10H2,1H3,(H2,21,22,23,25)/t11-,14-,16-,17+/m1/s1
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| InChIKey |
HIFONLZQROGEJE-PREXVCJDSA-N
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| PubChem Compound ID | ||||
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