Molecule FYI-1009292

A

Molecule Summary:

ID: FYI-1009292
Names:
InChIKey: VZCVVPIKMJGFMP-UHFFFAOYSA-N
SMILES: O=C(COc1ccc(Cl)nc1)Nc3cc(c2cccc(F)n2)ncn3

Received at FYIcenter.com on: 2024-05-07

Molecule ID: FYI-1009292 Edit

Molecule Structure InChIKey: VZCVVPIKMJGFMP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(COc1ccc(Cl)nc1)Nc3cc(c2cccc(F)n2)ncn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009292
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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  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  1  0  0  0  0
 19 17  2  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 10  1  0  0  0  0
 23  8  2  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009292-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.1201    0.0933   -0.1443 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406   -0.0383   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9062   -1.0580    0.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -2.3429    0.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -3.2347    1.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5901   -3.2001    2.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -4.1640    3.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9662   -5.1407    2.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7942   -6.3450    3.7046 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0965   -5.2270    1.4744 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4555   -4.2748    0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620    0.8385   -0.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479    0.7852   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1825    1.9141   -1.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5583    1.8496   -1.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3548    3.0235   -1.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7299    2.9445   -2.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4307    4.0899   -2.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7441    5.2888   -2.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    5.2880   -2.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7140    6.4429   -2.4248 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6785    4.1961   -1.9539 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2416    0.7104   -1.1471 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260   -0.3329   -0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2063   -0.3426   -0.5090 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439   -1.1279    1.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8111   -0.6553    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -2.4491    3.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1485   -4.1465    4.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5686   -4.3667   -0.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623    1.5885   -1.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.8296   -1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2562    1.9990   -1.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4998    4.0423   -2.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2461    6.2059   -2.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0623   -1.2539   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 1230👍, 0💬