Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG4AS1
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| Ligand Name |
6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one
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| Synonyms |
CHEMBL4468672; 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one; BDBM50531589; EWN
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| Structure |
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Download2D MOL |
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| Formula |
C21H21FN2O4
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| Canonical SMILES |
CC(C)CC1COC2=C(N1C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C=CC(=C2)F
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| InChI |
1S/C21H21FN2O4/c1-12(2)7-15-10-27-19-9-14(22)4-5-17(19)24(15)21(26)13-3-6-18-16(8-13)23-20(25)11-28-18/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1
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| InChIKey |
CERMKIOTMWNAGM-HNNXBMFYSA-N
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| PubChem Compound ID | ||||
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