Molecule FYI-1005052

A

Molecule Summary:

ID: FYI-1005052
Names:
InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N
SMILES: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)c1nc(C)n(C(C)C)c1c2)n3)nc4)CC5

Received at FYIcenter.com on: 2023-10-11

Molecule ID: FYI-1005052 Edit

Molecule Structure InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)c1nc(C)n(C(C)C)c1c2)n3)nc4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005052
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 N   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
    4.8497    9.1000    0.0000 C   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
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    2.4248    6.3000    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
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 N   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   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
    8.4871    4.2000    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
    9.6995    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    5.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    6.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6289    7.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615    8.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    7.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 F   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  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 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  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
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 32 25  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 31  1  0  0  0  0
 37 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005052-3D
FYIcenter.com

 69 73  0     0  0  0  0  0  0999 V2000
    5.8656    0.8872    2.4062 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2571   -2.4484   -1.1817 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2163   -0.3322    0.7640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8798    1.7361   -0.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9741    3.0976   -0.3553 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5538    3.2786    1.1976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391   -1.7310    0.5915 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -3.6948   -0.4417 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695   -2.1493   -0.2138 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499   -4.3095   -1.2116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5304   -0.0084    1.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6291    0.8511    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4675    0.5527    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5665    1.4110   -0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3227   -0.8634    1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7735    2.2691   -1.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1788   -1.6383    1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1113    2.6754   -0.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9744    3.4918   -1.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321    1.8105   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3645   -2.9245    0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9081   -1.0914    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    3.9377    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    1.9503    0.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844    2.9809   -0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480    3.0381   -2.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    0.5739   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.5618    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890   -3.6146    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    0.7987    1.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0581   -2.9793    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026    5.4073    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849   -0.4537    1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -1.8694   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3804   -3.3691   -0.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9669   -2.7457   -0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433   -3.9633   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9900   -0.9144    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4329    0.7143    2.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6840    0.5973   -0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4126    1.6334    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4032    0.7999    0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6902   -0.2266   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1091    2.3162   -1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6630    0.6855   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542   -0.0741    2.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8651   -1.5635    2.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9345    1.5507   -2.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3178    3.1634   -1.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7406    1.8137   -0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9867    3.2895    0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6683    3.2741   -1.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9234    4.5849   -1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3419   -3.3979    0.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6991   -0.0916    1.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370    3.2652    0.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1741    3.4222   -1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819    1.8962   -1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6631    3.4834   -3.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627    3.3618   -2.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    1.9555   -2.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    0.4801   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294   -4.6184   -0.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2984    5.8870    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5926    5.7313    0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    5.7710   -0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435   -1.3422    1.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2036   -4.6253   -0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -4.7167   -1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 36  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 23  2  0  0  0  0
  6 24  1  0  0  0  0
  7 22  1  0  0  0  0
  7 31  2  0  0  0  0
  8 31  1  0  0  0  0
  8 35  1  0  0  0  0
  8 68  1  0  0  0  0
  9 34  2  0  0  0  0
  9 35  1  0  0  0  0
 10 35  2  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 53  1  0  0  0  0
 20 24  2  0  0  0  0
 20 27  1  0  0  0  0
 21 29  2  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 32  1  0  0  0  0
 24 30  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  2  0  0  0  0
 27 62  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  1  0  0  0  0
 29 31  1  0  0  0  0
 29 63  1  0  0  0  0
 30 33  2  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
 33 67  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 2275👍, 0💬