Molecule FYI-1005657

A

Molecule Summary:

ID: FYI-1005657
Names:
InChIKey: FCQFPIYHTUVIBR-UHFFFAOYSA-N
SMILES: O=Cc5cccc(c3cnc4n(Cc1ccccc1Cl)c(=O)c2ccccc2n34)c5

Received at FYIcenter.com on: 2023-11-09

Molecule ID: FYI-1005657 Edit

Molecule Structure InChIKey: FCQFPIYHTUVIBR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc5cccc(c3cnc4n(Cc1ccccc1Cl)c(=O)c2ccccc2n34)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005657
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.2125    6.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.0688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0318    5.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6043    4.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364    4.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8729    2.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9060    3.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6344   10.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0308   10.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    8.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0391    8.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8237    9.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2118   11.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8154   11.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2036   12.5472    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1747    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
 27 28  1  0  0  0  0
 19 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005657-3D
FYIcenter.com

 46 50  0  0  0  0  0  0  0  0999 V2000
    2.2631    5.4022   -1.7130 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143    4.3393   -1.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    3.1994   -2.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7969    1.9670   -2.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    0.8880   -3.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8693    1.0363   -3.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    2.2803   -3.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    2.4961   -3.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7478    3.3148   -2.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808    3.1337   -3.1623 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0850    2.0359   -3.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585    1.0651   -3.8906 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420    1.4009   -4.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2560    1.0218   -2.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0231    1.7761   -1.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4712    1.3159   -0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1967    0.1319   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5039   -0.5739   -1.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0308   -0.1278   -2.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3916   -1.0667   -4.3451 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5375   -0.1723   -4.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4627   -1.1647   -3.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9070   -0.1134   -5.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -0.7248   -6.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7352   -0.1294   -7.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9355    1.0003   -8.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0691    1.5478   -7.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    0.9912   -5.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9110    1.8412   -4.5695 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    3.3444   -2.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6522    4.1613   -1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7706    1.8209   -2.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554   -0.0932   -3.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4130    0.1464   -3.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4114    3.9434   -2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5340    2.4750   -4.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7470    0.8877   -5.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883    2.6616   -1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1969    1.8511    0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5054   -0.2572    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0702   -1.5001   -1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4079   -1.4990   -6.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739   -0.4683   -8.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0759    1.5171   -8.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6040    2.5057   -7.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376    4.3103   -2.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  2  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 30 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 888👍, 0💬