Molecule FYI-1004528

A

Molecule Summary:

ID: FYI-1004528
Names:
InChIKey: NNACRXVYAXSZGO-UHFFFAOYSA-N
SMILES: CNC(=O)c2nnc(NC(=O)C1CC1)cc2Nc5cccc(c4ccc(C(=O)N(C)Cc3cnn(C)c3)nc4)c5OC

Received at FYIcenter.com on: 2023-09-12

Molecule ID: FYI-1004528 Edit

Molecule Structure InChIKey: NNACRXVYAXSZGO-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c2nnc(NC(=O)C1CC1)cc2Nc5cccc(c4ccc(C(=O)N(C)Cc3cnn(C)c3)nc4)c5OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004528
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
   14.3402    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6407    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0695    8.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    6.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9407    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
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 37  8  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 42 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004528-3D
FYIcenter.com

 73 77  0  0  0  0  0  0  0  0999 V2000
    1.0419    1.8427    1.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4762    1.7756    0.9993 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0964    0.7007    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809   -0.2447   -0.1020 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5955    0.7400    0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1665    1.9597    0.4494 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5426    2.0796    0.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3345    0.9990    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7354    1.0670    0.2227 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4410    2.2462    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695    3.3513    0.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9295    2.1338    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7555    0.9149   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6651    1.4236    1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7615   -0.2524    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3704   -0.4093    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
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 33 34  2  0  0  0  0
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 34 35  1  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1328👍, 0💬