Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L3Y8EX
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| Ligand Name |
N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methylphenyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxobutanamide
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| Structure |
 |
Download2D MOL |
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| Formula |
C26H24F4N6O2
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| Canonical SMILES |
CC1=C(C=CC(=C1)NC(=O)CCC(=O)C2=CC(=C(C=C2)F)C(F)(F)F)C3=NN(C4=NC=NC(=C34)N)C(C)C
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| InChI |
1S/C26H24F4N6O2/c1-13(2)36-25-22(24(31)32-12-33-25)23(35-36)17-6-5-16(10-14(17)3)34-21(38)9-8-20(37)15-4-7-19(27)18(11-15)26(28,29)30/h4-7,10-13H,8-9H2,1-3H3,(H,34,38)(H2,31,32,33)
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| InChIKey |
QTIJDEKGLBXUPB-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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