Molecule FYI-1004579

A

Molecule Summary:

ID: FYI-1004579
Names:
InChIKey: QCOGLYOWQHHJDY-UHFFFAOYSA-N
SMILES: Cc2cc(/C(N)=N/OC(=O)Nc1cccc(N(C)C)c1)no2

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004579 Edit

Molecule Structure InChIKey: QCOGLYOWQHHJDY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(/C(N)=N/OC(=O)Nc1cccc(N(C)C)c1)no2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004579
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8077    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  1  0  0  0  0
  5  4  2  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  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004579-3D
FYIcenter.com

 39 40  0  0  0  0  0  0  0  0999 V2000
   -0.1886   -1.5280   -5.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8462   -1.4391   -4.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -2.3385   -3.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -1.5880   -2.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275   -2.0740   -1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942   -1.1217   -0.4165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0524   -3.3227   -1.3843 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8461   -3.6850   -0.2728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4742   -4.9601    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3368   -5.2243    0.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5369   -5.8262   -0.0613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5112   -7.2262    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827   -7.8717    0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4870   -9.2553    0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5241  -10.0011    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5912   -9.4047   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6257  -10.1846   -0.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3420  -11.5119   -1.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8745   -9.5999   -1.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5626   -7.9953   -0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123   -0.3134   -2.5929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8358   -0.2272   -3.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435   -2.5483   -6.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -1.2488   -5.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3858   -0.3058   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1029   -1.4924    0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3451   -5.4152   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702   -7.3273    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6868   -9.7571    1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4936  -11.0747    0.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3949  -11.9560   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3243  -11.4671   -2.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1341  -12.2088   -1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1346   -8.6599   -0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7001  -10.2905   -1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8384   -9.4403   -2.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3514   -7.4740   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  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 20  2  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2494👍, 0💬