Molecule FYI-1013671

A

Molecule Summary:

ID: FYI-1013671
Names:
InChIKey: KPTXGIIXJARSHB-UHFFFAOYSA-N
SMILES: Cc1cccnc1c3cc(S(C)=O)nc4c(C(=O)Nc2ccccc2F)cnn34

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013671 Edit

Molecule Structure InChIKey: KPTXGIIXJARSHB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cccnc1c3cc(S(C)=O)nc4c(C(=O)Nc2ccccc2F)cnn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013671
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
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 27 10  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013671-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
   -1.7546   -2.1190    1.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9646   -1.0138    0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4963    0.2804    0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665    1.3073    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844    1.0103   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -0.2187   -0.4617 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059   -1.2172    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777   -2.5230    0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -2.8340    1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739   -4.1649    1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -4.6139    2.4089 S   0  0  3  0  0  0  0  0  0  0  0  0
    5.0936   -4.6767    1.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4261   -4.6935   -0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3714   -8.8571   -2.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2612   -9.3451   -3.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858  -10.6701   -3.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 27  1  0  0  0  0
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 19 40  1  0  0  0  0
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 28 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1260👍, 0💬