Molecule FYI-1013659

A

Molecule Summary:

ID: FYI-1013659
Names:
InChIKey: MVPTZZZADWKBAN-UHFFFAOYSA-N
SMILES: Cc3ccc(OCC(=O)Nc2cc(c1ccc(F)cc1)no2)cc3C

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013659 Edit

Molecule Structure InChIKey: MVPTZZZADWKBAN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(OCC(=O)Nc2cc(c1ccc(F)cc1)no2)cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013659
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   15.0597    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8472    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4845    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8472    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6348    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5062    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7977    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6388    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 21 10  1  0  0  0  0
 22  8  2  0  0  0  0
 23  5  2  0  0  0  0
 24  2  1  0  0  0  0
 25 23  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013659-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -8.4248   -1.8482   -0.2508 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689   -0.2502    0.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964    2.4029   -0.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434   -0.8584    0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480    1.3583    0.2729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470    2.0983   -0.2635 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4622   -1.2573   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797   -0.0142   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596   -0.1723    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522   -1.3363    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3870    1.1497   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770    1.0708    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1841   -2.5168   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4811    0.0958   -0.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5226    0.7793   -0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875    0.1014   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151    0.8391    0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023    1.2667    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2642    0.2038    0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8925    0.3322    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9960   -1.0417    0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8079    0.5859   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2246   -1.7003    0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0365   -0.0727   -0.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2449   -1.2158   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5806    1.9973    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4709   -2.5164   -1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786   -2.6337   -0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594   -3.4018   -0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1726   -0.4334   -0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5603   -0.3152   -1.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8143    1.1385   -1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    1.3096   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    1.5771    1.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0153   -0.8305    0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203    2.3008    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2244   -1.4380    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3884   -2.5890    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8307    0.3028   -1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  2  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 19 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

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