Molecule FYI-1000209

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Molecule Summary:

ID: FYI-1000209
SMILES: CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CCO)CC4

Received at FYIcenter.com on: 2020-12-22

Molecule ID: FYI-1000209 Edit

Molecule Structure SMILES String: CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CCO)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1000209
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   13.5939    6.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2016    6.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6320    7.7820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    7.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    9.2074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    9.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781   10.5661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086   10.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3024    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9099    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7328    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 33 32  1  0  0  0  0
 33 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000209-3D
FYIcenter.com

 59 62  0  0  0  0  0  0  0  0999 V2000
   -2.3577   -0.0288    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8605    0.0299    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2839    1.2413    0.1358 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0544    1.2529    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870    2.4988    0.2718 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9025    2.7074    0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    1.8027    1.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8222    2.3295    1.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    3.6503    1.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    4.2640    0.7539 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2228    4.4295    1.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1993    3.9293    2.3818 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1320    5.7642    1.4749 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1308    6.7179    1.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7412    7.8756    2.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0962    8.1073    2.9712 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6752    8.8495    2.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0053    8.6883    2.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    7.5698    1.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9230    5.4803    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    0.0860    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -1.1254   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2021-08-01, 2819👍, 0💬