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1-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]-2-(methylamino)ethanone
1-[(3S)-4-(4-fluoranylisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazepan-1-yl]-2-(methylamino)ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)CNC
Isomeric SMILES
C[C@H]1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)CNC
InChI
InChI=1S/C18H23FN4O3S/c1-13-12-22(17(24)11-20-2)7-4-8-23(13)27(25,26)16-6-3-5-14-9-21-10-15(19)18(14)16/h3,5-6,9-10,13,20H,4,7-8,11-12H2,1-2H3/t13-/m0/s1
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