Molecule FYI-1002555

A

Molecule Summary:

ID: FYI-1002555
Names:
InChIKey: NQCHGSFCHYQIPL-UHFFFAOYSA-N
SMILES: O=C(Nc1ccccc1C(=O)Nc2ccc(Cl)cn2)c4cn3ccccc3n4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002555 Edit

Molecule Structure InChIKey: NQCHGSFCHYQIPL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1C(=O)Nc2ccc(Cl)cn2)c4cn3ccccc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002555
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.3780    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9532    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9532    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3780    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3780    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9532    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9532    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9532    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9532    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    8.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    6.3077    0.0000 N   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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  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
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002555-3D
FYIcenter.com

 42 45  0     0  0  0  0  0  0999 V2000
    0.3577   -6.4999   -0.2440 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615    3.7245   -0.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0974   -0.6029    1.6573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620    1.3444   -0.0492 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829    1.7579    0.0624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149    0.4987    0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754   -0.8696   -0.3863 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965   -2.7281   -1.4072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2028    0.2219    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8334    1.8274   -0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0805    2.3720   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411    2.1558    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9680    1.2448    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836    2.5150   -0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3526    1.3409   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9131   -0.9845    0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445    3.4804   -0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2984    1.6585    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0142    0.2007    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2586   -0.9948    0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855   -0.1465    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    3.8942   -0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019    2.9832   -0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5829   -2.2303   -0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9314   -2.9701    0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511   -4.3070    0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -4.8553   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5439   -4.0312   -1.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4120    3.3666   -0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    0.7834    0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8526    2.2665   -0.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601   -1.8821    0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127    4.2492   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1093    0.9592    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0953    0.1455    0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8162   -1.9027    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129    4.9257   -0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6378    3.3053   -0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7006   -0.3822   -1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758   -2.6172    1.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112   -4.9110    1.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060   -4.3991   -2.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 14  2  0  0  0  0
  3 21  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 24  1  0  0  0  0
  7 39  1  0  0  0  0
  8 24  2  0  0  0  0
  8 28  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 21  1  0  0  0  0
 15 19  2  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 22  1  0  0  0  0
 17 33  1  0  0  0  0
 18 23  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1347👍, 0💬