Molecule FYI-1013522

A

Molecule Summary:

ID: FYI-1013522
Names:
InChIKey: ACAXJESVKAPMSQ-UHFFFAOYSA-N
SMILES: Clc6ccc(Cc5nn4c(Cc1c[nH]c2ccccc12)c(c3ccc(Cl)cc3)nc4s5)cc6

Received at FYIcenter.com on: 2024-12-25

Molecule ID: FYI-1013522 Edit

Molecule Structure InChIKey: ACAXJESVKAPMSQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc6ccc(Cc5nn4c(Cc1c[nH]c2ccccc12)c(c3ccc(Cl)cc3)nc4s5)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1013522
FYIcenter.com

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.1331    5.5658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8964    7.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3290    9.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6985    9.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6352    8.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7493   13.2962    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 33 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013522-3D
FYIcenter.com

 51 56  0  0  0  0  0  0  0  0999 V2000
    7.6735   -4.3226    1.7300 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5751   -3.0862    1.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7861   -2.4557    2.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020   -1.4345    1.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316   -1.0152    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2282    2.0110   -0.9545 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6324    4.1090   -5.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8402    5.4280   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2137    6.8181   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 51  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1032👍, 0💬