Molecule FYI-1007910

A

Molecule Summary:

ID: FYI-1007910
Names:
InChIKey: LWYVRCSLEFOHGT-UHFFFAOYSA-N
SMILES: Clc4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2ccc(Br)cc2)n3)c4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007910 Edit

Molecule Structure InChIKey: LWYVRCSLEFOHGT-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2ccc(Br)cc2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007910
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    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
    3.6373    7.7000    0.0000 C   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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007910-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -2.1609   -0.2498   -0.1362 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449   -0.1454   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705    1.0966   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582    1.1660    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3494   -0.0035    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8575    0.1614    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    1.1021    1.3703 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9309    0.6012    2.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1037    1.7621    3.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4194    2.3348    3.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123    2.7555    2.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5884    1.5805    1.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7214   -1.2618    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656   -2.4626    0.2644 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745   -3.6925   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748   -4.8629    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652   -6.0049   -0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8487   -6.0165   -1.7921 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -4.8430   -2.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705   -4.8443   -3.4901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673   -4.0313   -3.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900   -3.8007   -5.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3626   -2.9272   -5.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5196   -3.6889   -1.5634 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169   -1.3110    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3015   -4.2707   -6.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4180   -2.7380   -6.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1090   -3.5544   -2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.2705   -0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 29  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
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 13 29  1  0  0  0  0
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 15 28  2  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 27  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 134👍, 0💬