Molecule FYI-1015364

A

Molecule Summary:

ID: FYI-1015364
Names:
InChIKey: KYSVLVXAWUSYBH-UHFFFAOYSA-N
SMILES: Cc5nc4cc(C2=CC(c1cnn(C)c1)OCC2)nc(c3ccc(Cl)cc3F)c4nc5C

Received at FYIcenter.com on: 2025-08-15

Molecule ID: FYI-1015364 Edit

Molecule Structure InChIKey: KYSVLVXAWUSYBH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5nc4cc(C2=CC(c1cnn(C)c1)OCC2)nc(c3ccc(Cl)cc3F)c4nc5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015364
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8496    6.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    9.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.2997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6998    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1278    3.2714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    4.4838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    4.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5202    3.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015364-3D
FYIcenter.com

 53 57  0  0  1  0  0  0  0  0999 V2000
    1.0676    0.0342   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622   -0.0479   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521    1.1218   -0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6005    1.0616   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3093    2.2475   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6935    2.2321   -0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    3.4952   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6714    3.5890   -0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4888    4.8595   -0.7016 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7596    4.7593    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9751    5.4411   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9282    5.1427    0.7230 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3237    4.2770    1.5539 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0214    3.7517    2.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0341    4.0073    1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7101    6.0085   -0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9470    5.7945    0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9008    4.7002    0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890    1.0725   -0.1144 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942   -0.1039   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101   -1.3543   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0392   -2.5375   -0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6831   -3.7688   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8683   -3.8333    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6370   -5.3524    0.4044 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
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 22 23  2  0  0  0  0
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 24 25  1  0  0  0  0
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 26 50  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
$$$$

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2025-08-18, 928👍, 0💬