Molecule FYI-1003970

A

Molecule Summary:

ID: FYI-1003970
Names:
InChIKey: HXUQROVOCNFKTD-UHFFFAOYSA-N
SMILES: Fc4cccc(CSc3nnc(c2ccc1ncccc1c2)o3)c4

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

Molecule ID: FYI-1003970 Edit

Molecule Structure InChIKey: HXUQROVOCNFKTD-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4cccc(CSc3nnc(c2ccc1ncccc1c2)o3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003970
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.8968   12.1319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8968   10.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844   10.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844    8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4720    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    8.6319    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    8.5013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    7.4609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    6.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    6.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8968    7.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1092    8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1092   10.0319    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  1  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
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 12  1  0  0  0  0
 22  4  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003970-3D
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   -0.8436    1.5292   -3.1547 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.8098   -2.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    1.2632   -0.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239    0.5148    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.6793    0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088   -1.1469   -0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3086   -2.4301   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9968   -2.1024   -0.0938 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042   -3.6896   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597   -4.8322    0.0162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0222   -5.8332    0.0109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1879   -5.2320   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5433   -5.7763   -0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6485   -4.9553   -0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9402   -5.4910   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1821   -6.8467   -0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4415   -7.3074   -0.4855 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6495   -8.6325   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6414   -9.5388   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3404   -9.0566    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0823   -7.6879   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7774   -7.1490   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0593   -3.8699   -0.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340   -0.3792   -1.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971    2.1938   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5563    0.8654    1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7195   -1.2431    1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018   -3.1226    0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3418   -2.9143   -1.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5261   -3.8839   -0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7795   -4.8328   -0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6820   -8.9540   -0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8643  -10.5928    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5335   -9.7531    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9388   -7.8137    0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1155   -0.6896   -2.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1664👍, 0💬