Molecule FYI-1004619

A

Molecule Summary:

ID: FYI-1004619
Names:
InChIKey: LNQGYIHHCZBARL-UHFFFAOYSA-N
SMILES: Cc3cc(C2=NC(C(=O)Nc1cccc(N)c1)CN2)no3

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004619 Edit

Molecule Structure InChIKey: LNQGYIHHCZBARL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C2=NC(C(=O)Nc1cccc(N)c1)CN2)no3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004619
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.3055    9.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5966    8.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6598    6.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    4.1923    0.0000 N   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
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    6.0623    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292    6.0535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8756    7.4458    0.0000 O   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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  8  2  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 19  5  1  0  0  0  0
 20  4  2  0  0  0  0
 21 20  1  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004619-3D
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
    1.1152    2.0052   -0.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1978    0.8989   -0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442    0.5318   -0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484   -0.6524   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480   -1.4530   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5791   -1.0666   -0.8472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5911   -2.1569   -0.5691 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.7376   -1.5888    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4907   -2.3319    0.9015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8216   -0.2079    0.1925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7905    0.6318    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9875    0.1574    1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9402    1.0476    1.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6803    2.4171    1.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4489    2.9055    1.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2215    4.2889    1.3312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5428    2.0150    0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8596   -3.2810    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5934   -2.6557    0.4951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495   -0.9702    0.8091 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6205    0.0022    0.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6650    2.6923   -1.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469    1.6232   -1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3555    2.5742    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6528    1.0262   -1.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0133   -2.5171   -1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0304    0.2255   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2276   -0.9006    1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8894    0.6708    2.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4452    3.0973    2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7664    4.8026    2.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2369    4.5338    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6259    2.4054    0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6709   -4.1218   -0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669   -3.6586    1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633   -2.6594    1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

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2023-09-23, 2452👍, 0💬