Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L1J8EH
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| Ligand Name |
(1S,2S,3R,4R)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C25H26N6O2S
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| Canonical SMILES |
C1CCN(C1)C(=O)C2=CC(=CC=C2)NC3=NC4=C(C(=N3)NC5C6CC(C5C(=O)N)C=C6)SC=C4
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| InChI |
1S/C25H26N6O2S/c26-22(32)19-14-6-7-15(12-14)20(19)29-23-21-18(8-11-34-21)28-25(30-23)27-17-5-3-4-16(13-17)24(33)31-9-1-2-10-31/h3-8,11,13-15,19-20H,1-2,9-10,12H2,(H2,26,32)(H2,27,28,29,30)/t14-,15+,19+,20-/m1/s1
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| InChIKey |
ALXDIYXXVBXYGK-VVVONTASSA-N
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| PubChem Compound ID | ||||
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