Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L9LF2U
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Ligand Name |
S-Ruxolitinib
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Synonyms |
S-Ruxolitinib; 941685-37-6; S-Ruxolitinib (INCB018424); Ruxolitinib S enantiomer; (S)-Ruxolitinib; Ruxolitinib (S enantiomer); (3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile; CHEMBL1287854; (R)-ruxolitinib; (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; (S)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile; (3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile (ent-Ruxolitinib); INCB18424; INCB 18424; ruxolitinib-(S); (3S)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; SCHEMBL99225; DTXSID30678918; BCP15524; EX-A4005; BDBM50557386; HY-50856A; s2902; ZINC63539381; AKOS005145906; CCG-265007; AC-30902; SW220207-1; F85017; 1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (betaS)-
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Structure |
Download2D MOL |
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Formula |
C17H18N6
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Canonical SMILES |
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
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InChI |
1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1
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InChIKey |
HFNKQEVNSGCOJV-HNNXBMFYSA-N
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PubChem Compound ID |
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