Molecule FYI-1000314

Home > Molecule

A

Molecule Summary:

ID: FYI-1000314
SMILES: CC[C@H](n1ncc(c1C1CC1)C(=O)Nc1n[nH]cn1)C

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000314 Edit

Molecule Structure SMILES String: CC[C@H](n1ncc(c1C1CC1)C(=O)Nc1n[nH]cn1)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000314
FYIcenter.com

 20 22  0  0  1  0  0  0  0  0999 V2000
    9.7146    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2841    4.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    3.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689    3.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3689    4.9536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9994    4.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1320    2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9905    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.2703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.1396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0306    2.3159    0.0000 C   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
  3  4  1  1  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
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 15  1  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000314-3D
FYIcenter.com

 38 40  0  0  1  0  0  0  0  0999 V2000
    3.4851   -1.7767   -3.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774   -1.5640   -1.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335   -0.0970   -1.4150 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5501    0.0240   -0.0037 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145   -0.7299    0.4434 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582   -0.4713    1.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    0.4466    2.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    0.7350    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3657    1.6543    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    3.1219    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9796    2.3075   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277    1.0740    3.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0278    2.2288    3.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3680    0.2562    4.5431 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    0.6666    5.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7015    1.9150    6.2742 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    1.7377    7.5822 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121    0.4231    7.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489   -0.2787    6.8280 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903    0.8544   -2.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5687   -2.8480   -3.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4863   -1.3398   -3.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8629   -1.3398   -4.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4304   -2.1919   -1.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444   -1.9319   -1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9843    0.1975   -1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6751   -0.9427    2.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    1.5130    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    3.8147    1.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    3.4467    0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523    2.4682   -0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789    2.2077   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132   -0.7313    4.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731    2.5451    8.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595    0.0521    8.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0510    0.9035   -1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    0.5737   -3.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    1.8719   -2.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 26  1  6  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2621👍, 0💬