Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG3O7A
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| Ligand Name |
5-(1,3-Benzothiazol-2-Yl)-2-(Cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-Dihydroxy-4-(Hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-One
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| Synonyms |
5-(1,3-Benzothiazol-2-Yl)-2-(Cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-Dihydroxy-4-(Hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-One; CHEMBL3622183; SCHEMBL16209613; Q27454920; 4S2
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| Structure |
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Download2D MOL |
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| Formula |
C20H23N5O4S
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| Canonical SMILES |
C1CC1NC2=NC(=C(C(=O)N2)C3=NC4=CC=CC=C4S3)NC5CC(C(C5O)O)CO
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| InChI |
1S/C20H23N5O4S/c26-8-9-7-12(16(28)15(9)27)22-17-14(18(29)25-20(24-17)21-10-5-6-10)19-23-11-3-1-2-4-13(11)30-19/h1-4,9-10,12,15-16,26-28H,5-8H2,(H3,21,22,24,25,29)/t9-,12-,15-,16+/m1/s1
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| InChIKey |
FXWUDZUPMZEZQL-NRXFTUCASA-N
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| PubChem Compound ID | ||||
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