Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE4NJ1
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| Ligand Name |
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
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| Synonyms |
CHEMBL4744546; (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one; VBS; SCHEMBL19411534; BDBM50547999
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| Structure |
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Download2D MOL |
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| Formula |
C28H25N7O
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| Canonical SMILES |
CCN1C(=NC2=C(N=CN=C21)C3=CC4=C(C=C3)NC(=O)C4(C)CC5=CC=CC=C5)C6=CN=C(N=C6)C
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| InChI |
1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1
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| InChIKey |
FFRRAJYYORCXFZ-NDEPHWFRSA-N
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| PubChem Compound ID | ||||
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