Molecule FYI-1004613

A

Molecule Summary:

ID: FYI-1004613
Names:
InChIKey: QKVMLJGYQDIKSM-UHFFFAOYSA-N
SMILES: O=C(Nc2ccc(O)c(C(=O)N1CCCC1)c2)c6cc5c(c4cnc3[nH]ccc3c4)cccc5s6

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004613 Edit

Molecule Structure InChIKey: QKVMLJGYQDIKSM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2ccc(O)c(C(=O)N1CCCC1)c2)c6cc5c(c4cnc3[nH]ccc3c4)cccc5s6

Download SDF Download SVG Structure in 2D SDF:

FYI-1004613
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4071    6.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 35 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004613-3D
FYIcenter.com

 57 62  0  0  0  0  0  0  0  0999 V2000
    1.0113    0.1736   -0.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    0.0027   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8451   -1.1784   -0.4887 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -2.3313   -0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5091   -6.9711   -0.8506 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2880   -5.1099   -2.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -5.9106   -3.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3496   -7.2413   -2.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7405    4.3071    2.1440 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, 1290👍, 0💬