Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4PEZ6
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| Ligand Name |
(1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
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| Synonyms |
CHEMBL4638906; (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide; BDBM50542403; R4Y
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| Structure |
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Download2D MOL |
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| Formula |
C19H21FN8O2
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| Canonical SMILES |
C1C(C1C(=O)NC23CC2CN(C3)C4=NC(=NC=C4F)NC5=CN(N=C5)CCO)C#N
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| InChI |
1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12-,14+,19-/m1/s1
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| InChIKey |
OCNRQCROIYCWQL-NTHKCUKCSA-N
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| PubChem Compound ID | ||||
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