Benzamide, 4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]-2-pyrazinyl...
C26H27BrF3N5O2.xClH
1715025-34-5 Copyright (C) 2025 ACS
 38 40  0  0  0  0  0  0  0  0999 V2000
   12.0032   10.7801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0021    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    5.3900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3348    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3391    8.4701    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   21.3391    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   10.0101    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3370   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6707   10.7801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043   10.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6718    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0011    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
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M  END
> <cas.rn>
1715025-34-5

> <ca.index.name>
Benzamide, 4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]-2-pyrazinyl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluoro-, hydrochloride (1:?)

> <molecular.formula>
C26H27BrF3N5O2.xClH

> <smiles.canonical>
Cl.O=C(NC(C=1C=C(F)C=C(Br)C1)CNC)C2=CC=C(C=C2F)C=3N=C(C=NC3N)C4CCC(O)C(F)C4

> <smiles.isomeric>
NC=1C(C2=CC(F)=C(C(N[C@H](CNC)C3=CC(Br)=CC(F)=C3)=O)C=C2)=NC(=CN1)[C@@H]4C[C@H](F)[C@@H](O)CC4.Cl

$$$$
