Molecule FYI-1004223

A

Molecule Summary:

ID: FYI-1004223
Names:
InChIKey: BKOWNDORHNHKMP-UHFFFAOYSA-N
SMILES: O=C(Nc3cccc(NC(=O)c1cccc2[nH]ccc12)c3)c4cccc5cc(O)ccc45

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004223 Edit

Molecule Structure InChIKey: BKOWNDORHNHKMP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc3cccc(NC(=O)c1cccc2[nH]ccc12)c3)c4cccc5cc(O)ccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1004223
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9905    0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9524    1.8629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  2  0  0  0  0
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
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 18 12  2  0  0  0  0
 19  7  2  0  0  0  0
 20  5  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  3  1  0  0  0  0
 23  1  2  0  0  0  0
  1 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 26 32  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004223-3D
FYIcenter.com

 51 55  0  0  0  0  0  0  0  0999 V2000
    1.6787   -0.2079    1.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6358   -0.0306    0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0569    1.2301   -0.0202 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.4649    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1898    2.5309    0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019    3.7263    1.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909    4.9001    0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    4.9035   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    6.1102   -0.6589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949    7.3971   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4471    7.7001    0.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0355    8.5048   -0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3440    9.6734   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1259   10.6809   -0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7148   10.5750   -1.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3332    9.4633   -2.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483    9.0430   -3.9970 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7783    8.2419   -4.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0286    7.7705   -3.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4210    8.5065   -2.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439    3.6685   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -1.2617   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -2.3996   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735   -3.6363   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1114   -3.7177   -1.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777   -2.6233   -1.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2300   -2.7791   -1.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136   -2.2087   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5400   -2.7832   -1.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7408    8.0427   -5.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3959   -3.7044   -1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9637   -0.6485    0.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6703    0.2187    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  2  0  0  0  0
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  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
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 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  2  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  2  0  0  0  0
 30 50  1  0  0  0  0
 31 32  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2347👍, 0💬