Molecule FYI-1014897

A

Molecule Summary:

ID: FYI-1014897
Names:
InChIKey: NVSHCAOZXAJQNO-UHFFFAOYSA-N
SMILES: CC(C1CCN(C)CC1)n2nnnc2Sc4nc3cc(Cl)c(Cl)cc3nc4c5cnc(O)s5

Received at FYIcenter.com on: 2025-06-06

Molecule ID: FYI-1014897 Edit

Molecule Structure InChIKey: NVSHCAOZXAJQNO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C1CCN(C)CC1)n2nnnc2Sc4nc3cc(Cl)c(Cl)cc3nc4c5cnc(O)s5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014897
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
   10.5333    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7458    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9582    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7458    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7458    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5333    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5333    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4007    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8333    9.8543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2333    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0563   10.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6660    8.5229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3209    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1084    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8960    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7497    4.2077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3802    3.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6802    5.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6171    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3259    7.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3664    8.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    7.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    9.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    9.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    8.8367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    7.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    7.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3209    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5333    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  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 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 31 25  1  0  0  0  0
 32 16  2  0  0  0  0
 33 32  1  0  0  0  0
 33  1  2  0  0  0  0
 33  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014897-3D
FYIcenter.com

 53 57  0     1  0  0  0  0  0999 V2000
    7.3549   -2.4757    0.4516 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9670    0.5957   -0.3756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1495   -0.8652    1.0641 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4556    2.9220   -1.2686 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4764    4.7414   -1.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3555    0.5753    0.7470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9588   -1.9333   -0.6654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1149   -2.2436   -1.9600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1003   -1.3514   -1.6193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9752   -1.8851   -2.5385 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.1737    0.7851 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115    1.4600    0.0718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532    3.4904    0.7894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3365   -1.4121   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4606   -1.7184    0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0534    0.0940   -0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0758   -2.2041    0.3279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6939   -0.8539    0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3332    0.8988   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763   -3.7034    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5529    1.3893    0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293   -1.3909   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5046   -0.2600    0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    1.0381    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429   -0.7718    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0082    0.5619    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7295    2.0696    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001   -1.6751    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3212    0.9429   -0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0951    2.5014    1.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1103   -1.2836    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719    0.0310   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371    3.8896   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6871   -1.6966   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7747   -2.7653    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1137   -1.5500    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6031    0.4021    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3366    0.3505   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866   -1.8810    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4403   -1.0737    1.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1347   -1.1320   -0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7066    0.7078   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0806    1.9646   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4441   -4.2755    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9659   -3.9441    1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9106   -4.0663   -0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3105    2.4554    0.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0148    1.2046   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2971    1.1850    1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5902   -2.7069    0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5222    1.9764   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1395    2.1640    2.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    3.8963    1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 27  1  0  0  0  0
  4 33  1  0  0  0  0
  5 33  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  2  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 30  1  0  0  0  0
 13 33  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 50  1  0  0  0  0
 29 32  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1353👍, 0💬