Molecule FYI-1004646

A

Molecule Summary:

ID: FYI-1004646
Names:
InChIKey: GWCQOPAUUKGJCQ-UHFFFAOYSA-N
SMILES: COc2cc(N1CCN(C)CC1)ccc2Cc4nc(N)n(C(=O)Nc3c(Cl)cccc3Cl)n4

Received at FYIcenter.com on: 2023-09-16

Molecule ID: FYI-1004646 Edit

Molecule Structure InChIKey: GWCQOPAUUKGJCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(N1CCN(C)CC1)ccc2Cc4nc(N)n(C(=O)Nc3c(Cl)cccc3Cl)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004646
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004646-3D
FYIcenter.com

 58 61  0  0  0  0  0  0  0  0999 V2000
    0.9950   -0.4983    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2768   -0.1763   -0.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    0.7219    0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    1.0992    2.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5015    2.0429    2.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2095    2.3852    4.0153 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410    3.7591    4.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0578    3.7403    5.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    2.8750    6.8793 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922    2.8526    8.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-23, 1060👍, 0💬