Molecule FYI-1002553

A

Molecule Summary:

ID: FYI-1002553
Names:
InChIKey: JPZMZJYLLAAYSP-KRWDZBQOSA-N
SMILES: Cc4ccc([C@H]2Nc1ccccc1C(=O)N2c3ccc(Cl)cn3)o4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002553 Edit

Molecule Structure InChIKey: JPZMZJYLLAAYSP-KRWDZBQOSA-N

Molecule Structure SMILES String: Cc4ccc([C@H]2Nc1ccccc1C(=O)N2c3ccc(Cl)cn3)o4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002553
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
    7.2211    7.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    6.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    7.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    6.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8624    5.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    3.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9998    0.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    2.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    2.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9616    1.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3539    2.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9233    3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1005    4.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    4.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158    3.4359    0.0000 Cl  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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 17  7  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002553-3D
FYIcenter.com

 38 41  0     1  0  0  0  0  0999 V2000
    6.2500   -0.8824    0.1042 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754    2.9611    0.6507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0063   -2.3676   -1.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622   -0.6173    0.1856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580    0.1406    1.4636 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083    0.4735    0.2780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898    0.5277    0.8672 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4955    1.7666    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3791   -0.7482    0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738   -1.5784   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186   -1.5653   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118   -0.6797    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7061    1.9504   -1.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7384   -0.8412    1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193   -2.4648   -0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754    3.9181   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8228    3.3477   -1.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5817   -1.7224    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0727   -2.5303   -0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961   -1.9288    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922    5.3083    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7848   -1.9991    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8558    0.3658    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5359   -0.8344    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3635    0.8154    1.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7689    1.1782   -2.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1548   -0.2142    1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9931    3.8707   -2.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6342   -1.7766    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7268   -3.2179   -1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   -2.8577   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8595    6.0073   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611    5.5640    0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.9678   -0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843    1.3099    0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1729👍, 0💬