Molecule FYI-1002420

A

Molecule Summary:

ID: FYI-1002420
Names:
InChIKey: IXSZNCPQZGGHKB-UHFFFAOYSA-N
SMILES: COc4ccc3c(c2ccnc(Nc1cccc(OC(F)(F)F)c1)n2)cnn3n4

Received at FYIcenter.com on: 2023-03-16

Molecule ID: FYI-1002420 Edit

Molecule Structure InChIKey: IXSZNCPQZGGHKB-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc3c(c2ccnc(Nc1cccc(OC(F)(F)F)c1)n2)cnn3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002420
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.0067    7.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    8.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5818    7.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3694    8.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1569    7.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1569    6.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    4.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3694    5.7298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002420-3D
FYIcenter.com

 42 45  0     0  0  0  0  0  0999 V2000
    0.9769    3.0361    0.6410 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    3.6632   -1.2712 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453    4.4901   -0.6349 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022    2.8345    1.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289    2.3068   -1.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3023   -0.3889   -0.2683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9300   -1.3513   -0.9774 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4981   -2.1181   -0.0549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    0.8001   -0.0151 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8257   -2.1677    0.2344 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696   -4.2090    0.1951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412   -2.0384   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6042   -2.8661    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1459   -0.7975    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 21  1  0  0  0  0
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 16 31  1  0  0  0  0
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 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-05, 2016👍, 0💬