Molecule FYI-1005658

A

Molecule Summary:

ID: FYI-1005658
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-1005658 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-1005658
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
  1  2  2  0  0  0  0
  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-1005658-3D
FYIcenter.com

 46 50  0  0  0  0  0  0  0  0999 V2000
    3.5652   -4.9827    1.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988   -4.0706    1.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -2.8904    2.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -1.8766    2.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951   -0.7488    3.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063   -0.6067    3.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671   -1.6016    3.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4758   -1.4246    3.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320   -2.1193    2.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816   -1.4915    2.6393 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3383   -0.3293    3.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3317    0.6365    3.1353 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6162    0.1155    3.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8301    0.7807    3.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7397    1.4105    1.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8806    1.9073    1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1128    1.7596    1.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2284    1.1531    3.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0854    0.6610    3.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2829   -0.1099    5.2608 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    1.8085    3.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1778    2.6530    2.9533 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    1.7168    5.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4944    2.4768    5.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6129    2.1738    7.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7867    1.1583    7.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8703    0.3629    6.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7728    0.5895    5.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366   -0.3042    4.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5112   -2.7618    2.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470   -4.0973    0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827   -1.9278    1.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9738    0.0601    3.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532    0.3234    4.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0876   -2.9486    2.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063   -0.9562    3.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6041    0.1883    4.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7858    1.4964    1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7898    2.3765    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0274    2.1325    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1994    1.0313    3.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1704    3.1832    5.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3841    2.6849    7.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9136    0.9622    8.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3774   -0.4511    7.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1819   -3.5871    2.4692 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
 24 42  1  0  0  0  0
 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, 2545👍, 0💬