Molecule FYI-1009136

A

Molecule Summary:

ID: FYI-1009136
Names:
InChIKey: AVZFQBAKBUHRAC-UHFFFAOYSA-N
SMILES: Oc4ccc3sc1ccccc1n(CCCN2CCN(F)CC2)c3c4

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009136 Edit

Molecule Structure InChIKey: AVZFQBAKBUHRAC-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc4ccc3sc1ccccc1n(CCCN2CCN(F)CC2)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009136
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    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
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   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
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 25  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009136-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.0992   -0.1049    0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613    0.0053    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723    1.2424    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579    1.2885    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2369    0.1060    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9685    0.4140    0.0288 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412   -1.2207   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585   -1.2176   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7896   -2.3913   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1029   -3.5719   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017   -3.5648    0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8835   -2.4116    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4549   -2.3993    0.1204 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5669   -3.6265    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1671   -5.0259    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2197   -6.2042   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345   -6.1010   -1.3054 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6638   -7.3876   -1.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3865   -8.3258   -2.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976   -7.6529   -3.8186 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949   -7.2469   -4.5366 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -6.5013   -3.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014   -5.5298   -2.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6454   -1.1752    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218   -1.1735    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    0.7928    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001    2.1639    0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9419    2.2628    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010   -0.2761   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8732   -2.3759   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6362   -4.5214   -0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3422   -4.5638    0.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734   -3.5459   -0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9698   -3.5883    1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6849   -5.2290    1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8653   -5.0802   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064   -6.3344    0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8473   -7.1042   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2708   -8.7694   -2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9067   -5.9739   -4.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5727   -6.8415   -3.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -5.0952   -3.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5627   -4.6776   -2.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -2.0905    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$

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2024-05-05, 206👍, 0💬