Molecule FYI-1005635

A

Molecule Summary:

ID: FYI-1005635
Names:
InChIKey: DWPHJJMWQIPGDD-UHFFFAOYSA-N
SMILES: Cc7ccc(C(=O)C5C2c1ccccc1C=CN2C(C(=O)c3ccc(C)cc3)C6c4ccccc4C=CN56)cc7

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005635 Edit

Molecule Structure InChIKey: DWPHJJMWQIPGDD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc7ccc(C(=O)C5C2c1ccccc1C=CN2C(C(=O)c3ccc(C)cc3)C6c4ccccc4C=CN56)cc7

Download SDF Download SVG Structure in 2D SDF:

FYI-1005635
FYIcenter.com

 40 46  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 10  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 22  1  0  0  0  0
 31 26  1  0  0  0  0
 32 21  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 39  2  0  0  0  0
 40 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005635-3D
FYIcenter.com

 70 76  0  0  1  0  0  0  0  0999 V2000
  -10.9511    6.7147   -6.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4986    5.7274   -5.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1110    5.6759   -4.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7206    4.6895   -3.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7181    3.7341   -3.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5029    2.6368   -2.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4319    2.5275   -2.1629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2129    1.8098   -2.7491 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.0671    0.3132   -2.3524 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.2934   -0.5006   -1.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6064   -0.3432   -2.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6516   -1.1517   -1.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4002   -2.1691   -0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0959   -2.3961   -0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0603   -1.5723   -0.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6805   -1.8680   -0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9909   -0.7419   -0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8968    0.2328   -1.3056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8761    1.4116   -1.1131 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.4149    0.8668   -1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0680   -0.1716   -1.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3190    1.6061   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5699    2.7833    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    3.5382    0.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903    3.1286    0.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680    4.0033    1.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381    1.8902    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918    1.1407   -0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1459    2.7369   -2.0040 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.0251    3.6264   -2.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9539    4.9817   -2.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8786    5.7432   -2.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.1355   -3.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952    3.8120   -3.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1495    3.1006   -3.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6343    1.8989   -4.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9671    1.6309   -4.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8741    2.3378   -3.2487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0807    3.8130   -5.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4749    4.8018   -6.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6870    7.4237   -6.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4257    6.1877   -7.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1049    7.2955   -7.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9025    6.3731   -4.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2390    4.6668   -2.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2316    2.1740   -1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7361   -0.2525   -3.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8673    0.3965   -3.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6761   -0.9819   -2.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2087   -2.7934   -0.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8839   -3.2098    0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2531   -2.5475   -1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3042   -0.1718    0.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0583    1.7256   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5700    3.1759    0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442    4.4756    1.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    5.0489    1.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696    3.9805    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830    3.6860    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814    1.5150    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7580    0.1978   -0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7970    3.3876   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7629    5.4567   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414    6.8067   -2.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869    5.7203   -3.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312    3.3845   -4.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9144    1.2787   -4.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3596    0.7531   -4.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3010    3.1108   -5.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9901    4.8343   -7.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  2  0  0  0  0
  3  4  2  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  2  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  3  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  2  0  0  0  0
 23 24  2  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 38  1  0  0  0  0
 29 62  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 31 32  2  0  0  0  0
 31 63  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 33 34  2  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 67  1  0  0  0  0
 37 38  1  0  0  0  0
 37 68  1  0  0  0  0
 39 40  1  0  0  0  0
 39 69  1  0  0  0  0
 40 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1387👍, 0💬