Molecule FYI-1001300

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A

Molecule Summary:

ID: FYI-1001300
SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl

Received at FYIcenter.com on: 2022-05-08

Molecule ID: FYI-1001300 Edit

Molecule Structure SMILES String: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001300
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    2.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    4.0631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    5.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4393    4.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930    3.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3333    2.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6649    2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7052    1.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0367    2.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3278    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2873    4.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9559    4.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6592    3.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6997    2.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0311    3.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3223    4.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2818    5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9504    5.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9099    6.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0562    7.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7773    8.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8406    7.1630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5406    5.9506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6517    5.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6517    6.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8692    6.4729    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
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  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
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 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  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  1  0  0  0  0
 27 26  2  0  0  0  0
 27 23  1  0  0  0  0
 28  8  1  0  0  0  0
 29 28  1  0  0  0  0
 30  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001300-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    3.0607   -0.7034    3.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2373    0.4834    2.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2427    0.1896    1.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    1.3753    0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    2.5902    1.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8276    2.4844    2.5492 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.7357    2.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4444    4.6662    2.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8082    3.9285    1.1945 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260    4.6025    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150    3.7563   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    3.3698   -0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256    2.3549   -1.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2438    1.7359   -2.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4503    2.3460   -2.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0587    3.3081   -2.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    0.4402   -3.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    0.2292   -3.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1525   -0.9764   -3.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934   -2.0043   -4.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696   -1.8387   -4.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288   -0.6520   -3.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0759   -0.6773   -3.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9539   -1.3668   -4.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1008   -1.0700   -3.3723 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9980   -0.2675   -2.3130 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6979   -0.0512   -2.1894 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3883    6.1393    2.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9487    6.6998    1.1642 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218    4.0263    4.3779 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.4453    4.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0133   -0.9914    4.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -1.5703    3.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8817   -0.6689    1.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2045   -0.1110    2.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795    1.5645    0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    1.0717    0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900    5.1982   -0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083    5.2990    0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5234    3.7717    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416    1.9960   -1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074    1.9969   -3.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0650    3.6390   -2.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271    1.0115   -3.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2303   -1.1078   -3.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892   -2.9393   -4.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169   -2.6685   -4.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9983   -1.4343   -3.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9554    6.5013    3.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3563    6.4867    2.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    6.3861    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
$$$$

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2022-05-15, 2176👍, 0💬