Molecule FYI-1002209

A

Molecule Summary:

ID: FYI-1002209
Names:
InChIKey: HPALYDBXMGJENX-HHGDXTKRSA-N
SMILES: CCOc1ccccc1c6ccc(N3CCN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]3CC)c(C(=O)NC4CN5CCC4CC5)n6.O=C(O)/C=C\\C(=O)O

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002209 Edit

Molecule Structure InChIKey: HPALYDBXMGJENX-HHGDXTKRSA-N

Molecule Structure SMILES String: CCOc1ccccc1c6ccc(N3CCN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]3CC)c(C(=O)NC4CN5CCC4CC5)n6.O=C(O)/C=C\C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002209
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002209-3D
FYIcenter.com

 98102  0  0  1  0  0  0  0  0999 V2000
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 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 29  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 30  1  0  0  0  0
 29 76  1  6  0  0  0
 30 31  1  0  0  0  0
 30 77  1  0  0  0  0
 30 78  1  0  0  0  0
 31 79  1  0  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
 32 33  1  0  0  0  0
 32 44  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 82  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  1  0  0  0  0
 36 83  1  0  0  0  0
 37 38  1  0  0  0  0
 37 84  1  0  0  0  0
 37 85  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 39 86  1  0  0  0  0
 39 87  1  0  0  0  0
 40 41  1  0  0  0  0
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 41 42  1  0  0  0  0
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 42 43  1  0  0  0  0
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 42 92  1  0  0  0  0
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 43 94  1  0  0  0  0
 45 46  2  0  0  0  0
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 47 95  1  0  0  0  0
 48 49  2  0  0  0  0
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 49 97  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 98  1  0  0  0  0
M  END
$$$$

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2023-02-28, 1833👍, 0💬