Molecule FYI-1013685

A

Molecule Summary:

ID: FYI-1013685
Names:
InChIKey: SPFCMXJOLZVZPA-UHFFFAOYSA-N
SMILES: CC(=O)c4ccc(N(Cc1ccc(C(F)(F)F)cc1)c2ccnc3cc(Cl)ccc23)cc4

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013685 Edit

Molecule Structure InChIKey: SPFCMXJOLZVZPA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c4ccc(N(Cc1ccc(C(F)(F)F)cc1)c2ccnc3cc(Cl)ccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013685
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.4871   12.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.9876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  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
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 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
 31 23  1  0  0  0  0
 32  6  2  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013685-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.6796   -0.9274    0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3030   -0.3152   -1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.2773   -1.6281 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675    0.2505   -2.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192    0.2236   -1.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6727    0.7239   -2.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3266    1.2441   -3.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3355    1.6363   -4.9353 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4161    0.6008   -5.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7255    0.9087   -4.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    2.0289   -3.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0849    2.1121   -2.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0434    1.0867   -2.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1856    1.0698   -1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1723    2.1171   -0.8366 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689   -0.0524   -0.9308 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4080    1.0886   -2.3042 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8897    0.0258   -3.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7454   -0.0602   -4.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177    2.5488   -6.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7193    2.1923   -7.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7736    3.1124   -8.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586    4.3759   -8.2223 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8128    4.7429   -7.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3989    6.0631   -7.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7811    6.5835   -5.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212    8.2410   -5.8639 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5516    5.7706   -4.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0089    4.4446   -4.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2027    2.9674   -2.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6295   -0.9238   -5.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    1.2022   -7.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1820    2.8436   -9.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5748    6.6966   -7.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0296    6.1611   -3.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261    3.8513   -3.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    1.6982   -5.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9421    0.8614   -3.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  2  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  2  0  0  0  0
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  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
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 26 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1138👍, 0💬