Molecule FYI-1002561

A

Molecule Summary:

ID: FYI-1002561
Names:
InChIKey: APCHINLLCIILMS-UHFFFAOYSA-N
SMILES: O=C(Cn3c(c1cscn1)nc2ccccc23)Nc4cccc(F)c4

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

Molecule ID: FYI-1002561 Edit

Molecule Structure InChIKey: APCHINLLCIILMS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cn3c(c1cscn1)nc2ccccc23)Nc4cccc(F)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002561
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.2863    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9168    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2230    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.5552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8447    5.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1236    6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9773    7.9557    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6078    8.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9079    7.0344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 11  1  0  0  0  0
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 15 14  2  0  0  0  0
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 19 18  2  0  0  0  0
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 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002561-3D
FYIcenter.com

 38 41  0     0  0  0  0  0  0999 V2000
   -1.9214   -4.7864    0.1454 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0654    0.9249    2.4304 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608    0.5165    0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038    0.1799   -0.5433 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4808   -0.4353    0.6415 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282    0.1624   -1.1232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779   -2.5800    0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4282    1.3276   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4554    0.0799   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726   -0.8451    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5325    0.9173    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189    2.6491   -0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9190   -2.2514    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4953    1.8684    0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7585    0.2818   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869    3.5824   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3057    3.2010    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2606    0.2833   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983   -3.3125    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115    0.5505    0.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3232    0.1342   -1.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603   -3.8890    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248    0.6685    1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6367    0.2523   -1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8874    0.5194    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4544    0.8490   -2.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.8852   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510    2.9509   -1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3678    1.5823    1.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0651    4.6245   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0409    3.9494    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -0.0340   -2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8791   -3.3040    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7436    0.6781    1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -0.0744   -2.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028   -4.3801    0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4642    0.1361   -1.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9098    0.6113    0.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 15  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  6 32  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  2  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1526👍, 0💬