Molecule FYI-1007655

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A

Molecule Summary:

ID: FYI-1007655
Names:
InChIKey: CUHVIMMYOGQXCV-UHFFFAOYSA-N
SMILES: Cc2cccc(C(C)c1cnc[nH]1)c2C

Received at FYIcenter.com on: 2024-03-08

Molecule ID: FYI-1007655 Edit

Molecule Structure InChIKey: CUHVIMMYOGQXCV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cccc(C(C)c1cnc[nH]1)c2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007655
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    8.2780    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    4.2000    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  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007655-3D
FYIcenter.com

 31 32  0     1  0  0  0  0  0999 V2000
    2.5909    1.0148   -0.4762 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3695    0.1789    1.4283 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253   -0.5196   -1.0834 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6071   -0.5016   -0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3930    0.6506   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686   -0.0636   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094   -1.8565   -1.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6346    0.6419    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627   -1.6626    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038    1.8959   -1.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902   -0.5190    0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3043   -1.6713    0.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217   -0.5814    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4957    1.8621    0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061    1.1315    0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6892    0.1752   -1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3072   -2.2048   -2.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283   -2.6487   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0123   -1.7272   -2.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4729   -2.5733    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8419    1.7484   -2.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5428    2.7688   -0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748    2.1898   -0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543   -0.5433    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576   -2.5741    1.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4984    1.6262   -1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830   -1.4497    1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048    2.6724    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402    2.1901   -0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4490    1.6692    0.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    1.9265    0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  1 26  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2024-03-17, 204👍, 0💬