Molecule FYI-1009272

A

Molecule Summary:

ID: FYI-1009272
Names:
InChIKey: FIZRZGTXIPFCRF-LRAYJDFDSA-N
SMILES: Cn4c3CN([C@@H]2C[C@H](N)C(c1cc(F)c(F)cc1F)O[C@@H]2C(F)(F)F)Cc3nc4C(N)=O

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009272 Edit

Molecule Structure InChIKey: FIZRZGTXIPFCRF-LRAYJDFDSA-N

Molecule Structure SMILES String: Cn4c3CN([C@@H]2C[C@H](N)C(c1cc(F)c(F)cc1F)O[C@@H]2C(F)(F)F)Cc3nc4C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009272
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
   14.6434    7.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4309    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4309    9.1543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185    7.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9396    7.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0027    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7027    5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.6620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125    4.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   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
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    9.6995    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  1  0  0  0
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 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009272-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    2.0544   -0.8821    0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2829   -0.5738   -0.0228 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    0.6477   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357    2.0436   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6363    2.7300   -0.4762 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.9807    3.9283    0.2761 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2549    3.7364    1.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187    3.6502    2.6972 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5660    2.2587    2.8891 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191    4.6881    2.2653 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9980    6.1026    2.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    7.0368    2.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    8.3289    2.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811    9.1967    2.5801 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053    8.7193    3.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0059    9.9604    4.3641 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9798    7.8254    4.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9761    6.5385    3.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737    5.7423    4.1402 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    4.7734    0.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685    5.0762    0.1002 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7170    5.4217   -1.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061    4.8575   -2.2361 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    5.0726   -1.8010 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8277    6.7651   -1.5705 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4152   -0.8168   -0.6969 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 20 21  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 1554👍, 0💬