Molecule FYI-1003099

A

Molecule Summary:

ID: FYI-1003099
Names:
InChIKey: WCZPIPFSJGJQFS-UHFFFAOYSA-N
SMILES: N#Cc3cccc(c2cnc(N)c(c1cc(F)c(O)c(F)c1)c2)c3F

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003099 Edit

Molecule Structure InChIKey: WCZPIPFSJGJQFS-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3cccc(c2cnc(N)c(c1cc(F)c(O)c(F)c1)c2)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003099
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   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
    0.0000    4.9000    0.0000 O   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
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3000    0.0000 F   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
    9.6996    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    1.4000    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  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  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
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  4  1  0  0  0  0
 17  3  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
 14 20  1  0  0  0  0
  9 21  1  0  0  0  0
 12 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003099-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   -2.5571    1.0012   -1.6029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233    0.7701   -1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2343    0.5240   -0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896    1.5702    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426    1.3188    0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781    0.0252    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737   -1.0570   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1465   -2.4268   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730   -3.3437   -1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466   -4.6108   -1.1163 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1614   -5.0233   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -6.3391   -0.2853 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -4.1997    0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5131   -4.6252    2.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5687   -5.5233    1.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4249   -5.9399    2.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3847   -6.8368    2.5090 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003   -5.4419    4.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1550   -5.8436    5.0505 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2952   -4.5275    4.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1584   -4.0049    5.5581 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039   -4.1336    3.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193   -2.8952    0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -0.7673   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -1.7566   -1.1043 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840    2.5805    0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110    2.1305    1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2721   -0.1160    0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2422   -3.0890   -1.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905   -6.7207   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -6.8896    0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7509   -5.9200    0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7747   -6.4836    4.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -3.4369    3.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867   -2.2227    1.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  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 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  2  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 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1231👍, 0💬