Molecule FYI-1001140

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A

Molecule Summary:

ID: FYI-1001140
SMILES: CO\\N=C(\\C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1

Received at FYIcenter.com on: 2022-01-31

Molecule ID: FYI-1001140 Edit

Molecule Structure SMILES String: CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001140
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    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
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.0000    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
    8.4870    4.9000    0.0000 O   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   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
    3.6373    2.1000    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
    2.4249    0.0000    0.0000 C   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
    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    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
  4  3  2  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
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 18  2  0  0  0  0
 27 14  1  0  0  0  0
 28 27  1  0  0  0  0
 29 12  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001140-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    4.8712    0.7943    2.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    0.3569    1.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8986   -0.3930    0.4502 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2304   -0.9880   -0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102   -0.8661   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9143   -1.1759    0.3356 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161   -1.0920    0.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895   -0.4043   -1.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968   -0.6952   -2.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493   -0.4307   -1.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0105   -1.9094   -1.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7532   -2.2031   -2.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -1.6183   -3.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8995   -1.3099   -4.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346   -0.9363   -5.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -0.7652   -6.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3304   -0.8864   -7.4761 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0848   -1.1691   -7.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390   -1.2679   -7.9289 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2148   -0.6869   -9.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    0.6325   -9.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8401    1.2104  -10.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752    0.5049  -11.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701   -0.7926  -11.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407   -1.3869  -10.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163   -2.9950  -10.2393 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8170   -1.4006   -5.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5882   -1.7369   -5.2493 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545   -3.1560   -3.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9590   -3.4160   -1.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1358   -2.5295   -0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195    1.3230    3.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6524    1.4838    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3238   -0.0547    2.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0368    0.6696   -0.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215   -0.7547   -1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547   -0.0435   -3.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -1.7335   -2.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795   -0.5054   -6.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9733    1.1986   -8.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2435    2.2170  -10.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834    0.9650  -12.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822   -1.3320  -12.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3422   -3.4350   -4.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2896   -4.4234   -3.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8246   -3.8610   -1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3883   -2.3284    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  3  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 45  1  0  0  0  0
 30 31  1  0  0  0  0
 30 46  1  0  0  0  0
 31 32  2  0  0  0  0
 31 47  1  0  0  0  0
 32 48  1  0  0  0  0
M  END
$$$$

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2022-04-13, 1076👍, 0💬