Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8FNX0
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| Ligand Name |
2-({8-[(3R)-3-Aminopiperidin-1-YL]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL}methyl)benzonitrile
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| Synonyms |
2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE; XIH; SCHEMBL4667775; DB08743; Q27097929; 1,3-Dimethyl-7-(2-cyanobenzyl)-8-[(3R)-3-aminopiperidino]-7H-purine-2,6(1H,3H)-dione
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| Structure |
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Download2D MOL |
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| Formula |
C20H23N7O2
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| Canonical SMILES |
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N
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| InChI |
1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3/t15-/m1/s1
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| InChIKey |
XJNKUWDMCBZMTG-OAHLLOKOSA-N
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| PubChem Compound ID | ||||
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