Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L72MPJ
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| Ligand Name |
(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
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| Synonyms |
CHEMBL4743499; (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; R6P; BDBM50557388
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| Structure |
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Download2D MOL |
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| Formula |
C28H32N8
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| Canonical SMILES |
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC(=N3)NC5=CC=C(C=C5)C6CCNCC6
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| InChI |
1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m0/s1
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| InChIKey |
RGIJZWRVCBSGJV-VWLOTQADSA-N
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| PubChem Compound ID | ||||
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