Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8Z6NJ
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| Ligand Name |
2-[(3S)-7-Fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
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| Synonyms |
AZD9977; AZD-9977; 1850385-64-6; Azd 9977; BALCINRENONE; UNII-6C9UKZ0CYE; 6C9UKZ0CYE; 2-[(3S)-7-Fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide; 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide; 2H-1,4-Benzoxazine-3-acetamide, 4-((3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl)-7-fluoro-3,4-dihydro-N-methyl-, (3S)-; 2-((3S)-7-FLUORO-4-((3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)-N-METHYLACETAMIDE; 2-{(3S)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-methylacetamide; BALCINRENONE [INN]; CHEMBL3916929; SCHEMBL17363859; GTPL11281; AZD 9977 [WHO-DD]; BDBM238159; DB15418; US9394291, 4a; AC-36749; HY-120274; CS-0077469; F82308; (S)-1 [PMID: 30596500]; ECV
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| Structure |
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Download2D MOL |
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| Formula |
C20H18FN3O5
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| Canonical SMILES |
CNC(=O)CC1COC2=C(N1C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C=CC(=C2)F
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| InChI |
1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
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| InChIKey |
MBKYLPOPYYLTNW-ZDUSSCGKSA-N
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| PubChem Compound ID | ||||
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