Molecule FYI-1015702

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A

Molecule Summary:

ID: FYI-1015702
Names:
InChIKey: AIVIIYNBACVXRX-UHFFFAOYSA-N
SMILES: Clc3cc(c2ccc1cccnc1c2)ccn3

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015702 Edit

Molecule Structure InChIKey: AIVIIYNBACVXRX-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3cc(c2ccc1cccnc1c2)ccn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015702
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 N   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  1  0  0  0  0
  6  5  2  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 11  2  0  0  0  0
 13  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015702-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
   -5.1301   -1.5114    0.6755 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0136    1.4848    0.3910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3281    0.8331   -0.0864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069   -0.1716   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -0.8092   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145    0.5163    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7533    0.8085    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.1712   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877   -1.4752   -0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5423   -1.7952   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -1.1039   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -0.7809    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0216    1.4539   -0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067   -0.1080    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3264    1.1590    0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8927   -0.4031    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3787    1.7318   -0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649    1.8287    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5173   -2.2659   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415   -2.8172   -0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2288   -2.1117   -0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2941   -1.7874    0.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3404    2.2349   -0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8698   -0.3182    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0055    1.9778    0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7506    2.7148   -0.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$

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2025-10-24, 705👍, 0💬