Molecule FYI-1007737

A

Molecule Summary:

ID: FYI-1007737
Names:
InChIKey: OTLBCAAYPVOGKW-UHFFFAOYSA-N
SMILES: Cc2nc1cc(Cl)cc(C(=O)NCCC(=O)N(C)C)c1[nH]2

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007737 Edit

Molecule Structure InChIKey: OTLBCAAYPVOGKW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2nc1cc(Cl)cc(C(=O)NCCC(=O)N(C)C)c1[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007737
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.9120    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    1.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.9282    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9907    1.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3830    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9524    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0830    0.0000    0.0000 C   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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
  6 12  2  0  0  0  0
  3 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  1 20  1  0  0  0  0
  9 18  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007737-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.6866    0.1206    2.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704    0.0764    1.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455   -0.9997    1.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -0.5452    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8090   -1.2637    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8379   -0.5423   -0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1306   -1.4027   -1.2372 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    0.8573   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110    1.5881    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417    3.0715    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    3.6208    0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9326    3.7575    0.0189 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9756    5.2136    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9889    5.7952    1.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    7.3122    1.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0936    7.9168    0.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0505    7.9841    2.6215 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0355    7.3516    3.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0830    9.4396    2.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791    0.8428    0.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147    1.2128    1.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3381   -0.8926    2.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163    0.6231    1.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059    0.6557    3.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012   -2.3472    0.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6549    1.3670   -1.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8127    3.2612    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1127    5.5908   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807    5.5042   -0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8681    5.4204    1.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0868    5.4826    1.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099    6.2602    3.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1520    7.6968    4.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9368    7.6529    4.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0869    9.8624    1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9855    9.7689    3.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000    9.8085    3.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3008    2.1707    1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1036👍, 0💬