Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LHBO46
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| Ligand Name |
N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]pyrrolidin-3-yl]propanamide
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| Structure |
 |
Download2D MOL |
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| Formula |
C20H28FN9O2
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| Canonical SMILES |
CCC(=O)NC1CN(CC1F)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NC4=CN(N=C4OC)C
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| InChI |
1S/C20H28FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h8,10-13H,6-7,9H2,1-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1
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| InChIKey |
MJLFLAORJNTNDV-CHWSQXEVSA-N
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| PubChem Compound ID | ||||
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