Molecule FYI-1006564

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A

Molecule Summary:

ID: FYI-1006564
Names:
InChIKey: CHDBGFBFAXJWRC-UHFFFAOYSA-N
SMILES: CCN(CC)CCCC(C)Nc1ccnc2cccc(Cl)c12

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006564 Edit

Molecule Structure InChIKey: CHDBGFBFAXJWRC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCCC(C)Nc1ccnc2cccc(Cl)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006564
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 Cl  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
  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
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006564-3D
FYIcenter.com

 48 49  0     1  0  0  0  0  0999 V2000
    1.5282    1.6103   -2.3531 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790   -1.1129   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072    2.1723    0.1808 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2098   -1.1245    2.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539    1.6270    0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    1.1381   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    2.6925    0.6584 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1839    0.0335   -0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077    3.9372   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042   -1.6523   -0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8109   -2.1509   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    1.0662    0.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    0.1597    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370   -2.8064    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1440   -1.6122    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8055    0.8387    2.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433   -0.9250    0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1402    0.3377   -1.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055   -0.2502    2.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2651   -1.8009    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.5537   -2.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5288   -1.6241   -1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378    0.7874    1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9036    2.0499    0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939    0.8481   -1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.9690   -1.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7839    3.0164    1.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1188    0.4761   -0.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3383   -0.2470   -2.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7082    2.4694   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775    4.7315    0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959    4.3210    0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1937    3.7581   -1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628   -1.9781   -1.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080   -0.9129   -0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9344   -2.5819   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5533   -2.9669    0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -2.5538    1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100   -3.7224    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -3.0454   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0370   -1.0440    1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6442   -0.9873   -0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8219   -2.4483    0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1995    1.4844    2.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2571   -0.4572    3.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178   -2.6477    0.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848   -0.4364   -3.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1740   -2.3249   -1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  2  0  0  0  0
 16 44  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 45  1  0  0  0  0
 20 22  2  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

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2024-01-15, 2492👍, 0💬