Molecule FYI-1010479

A

Molecule Summary:

ID: FYI-1010479
Names:
InChIKey: ZVHULDKGQUBCLF-UHFFFAOYSA-N
SMILES: Cc4cc(C)c3[nH]c(C2CCCC(c1cccnc1C#N)N2)nc3c4O

Received at FYIcenter.com on: 2024-06-06

Molecule ID: FYI-1010479 Edit

Molecule Structure InChIKey: ZVHULDKGQUBCLF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C)c3[nH]c(C2CCCC(c1cccnc1C#N)N2)nc3c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010479
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.3531    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    9.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    9.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531   11.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    8.3923    0.0000 N   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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164    6.4306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.2585    0.0000 O   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  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  3  0  0  0  0
 22 13  1  0  0  0  0
 22  9  1  0  0  0  0
 23  8  2  0  0  0  0
 24 23  1  0  0  0  0
 24  6  1  0  0  0  0
 25 24  2  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010479-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    1.9344   -1.8149   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455   -0.6375   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4108    0.4939   -1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265    1.6289   -1.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7266    2.8088   -2.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134    1.5594   -0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5721    2.4314   -0.7906 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6278    1.8360   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9756    2.4979   -0.0128 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0079    3.4179    1.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2729    4.2683    1.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6443    4.8793   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6264    3.8556   -1.2250 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7806    2.8500   -1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8218    2.8737   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8408    1.9240   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8277    0.9766   -1.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8936    0.9399   -2.3047 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9002    1.8698   -2.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9662    1.7632   -3.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    1.7246   -4.1859 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2805    3.2560   -1.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2868    0.6428    0.3122 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850    0.4589   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1427   -0.6504    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5953   -1.7485    0.7776 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577   -1.6483   -0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662   -1.9926    0.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3703   -2.7115   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020    0.4945   -1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001    2.6583   -2.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3604    2.9765   -3.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    3.7050   -1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    3.3401   -1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7123    1.6952    0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9317    2.8143    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1370    4.0865    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0890    3.6491    1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    5.0701    2.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6163    5.3835    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9193    5.6746   -0.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7232    4.4464   -2.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8749    3.6256    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6237    1.9301    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5930    0.2077   -1.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1430    2.6582   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150   -1.5168    1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  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 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  2  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 1294👍, 0💬