Molecule FYI-1015720

A

Molecule Summary:

ID: FYI-1015720
Names:
InChIKey: BYBLEWFAAKGYCD-SFHVURJKSA-N
SMILES: Clc3ccc(CO[C@@H](Cn1ccnc1)c2ccc(Cl)cc2Cl)c(Cl)c3

Received at FYIcenter.com on: 2025-10-01

Molecule ID: FYI-1015720 Edit

Molecule Structure InChIKey: BYBLEWFAAKGYCD-SFHVURJKSA-N

Molecule Structure SMILES String: Clc3ccc(CO[C@@H](Cn1ccnc1)c2ccc(Cl)cc2Cl)c(Cl)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015720
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
   11.9152    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    6.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    4.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.6000    0.0000 C   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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 10  1  0  0  0  0
 18  2  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  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 20  1  0  0  0  0
 25  6  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015720-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
   -2.6934    0.0757   -2.6928 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7330    3.8524    0.5550 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0397    2.7721    1.1594 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    1.9490    0.2919 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1607   -0.5234    0.0470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -3.2719    0.5493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591   -5.2241   -0.2443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -0.9279   -0.2031 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5337   -2.0832    0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    0.2743   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777    0.4890   -0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7934    0.7806   -1.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1726    0.8509    1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9885    0.8755   -0.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4597   -3.5386    1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9922   -4.2995   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6166    1.8914   -0.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9957    1.9616    1.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7177    2.4818    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487   -4.7561    0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878    1.8976    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183    0.1856   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172    2.2297    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3475    0.5178   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470    1.5398   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004   -1.3444   -1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001   -1.8021    1.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -2.3889    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0547    1.3805   -0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261    0.0965   -1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088    0.4712    2.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9074   -2.8736    1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -4.3286   -0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1804    2.2986   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0619    2.4136    2.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369   -5.3188    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8012   -0.6155   -1.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527    3.0265    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397   -0.0289   -1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 31  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 20  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$

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2025-10-14, 791👍, 0💬