Molecule Editor

Molecule ID: FYI-1006629 Edit

Molecule Structure InChIKey: GRLQBHJHMAZZKJ-CMGAZVJYSA-N

Molecule Structure SMILES String: CCc5nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)CCc2ccccc2)C(C)Cc4cc3c(NCCCN(CC)CCO)cccc3cc4Cl)cs5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006629
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
   21.4842   12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8767   12.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9148   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5455   10.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6781    8.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6148    9.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.2000    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
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   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
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    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
    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
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  1  0  0  0
 15 14  1  0  0  0  0
 16 15  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
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 18  1  0  0  0  0
 38 15  1  0  0  0  0
 39 14  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 42 41  1  1  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 49 44  1  0  0  0  0
 50 42  1  0  0  0  0
 51 50  1  0  0  0  0
 51 52  1  1  0  0  0
 53 51  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 59 58  1  0  0  0  0
 60 59  2  0  0  0  0
 60 55  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006629-3D
FYIcenter.com

123127  0  0  1  0  0  0  0  0999 V2000
    0.3811    1.4762   15.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737    2.9920   15.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8153    3.4486   15.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    3.2296   14.0989 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053    3.4785   14.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    3.3581   13.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2554    2.4502   12.3752 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.5374   11.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5169    2.2816   11.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5068    2.9601   11.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060    1.2798   10.6910 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5761    0.9197    9.6624 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9164    0.9582    8.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2183    0.0219    7.8387 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0972    2.0906    7.4657 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5085    2.1403    6.1154 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9537    2.2702    6.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2378    3.4426    6.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    4.5015    7.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128    5.5375    8.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329    5.4896    8.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    4.4279    7.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244    3.4124    6.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1804    3.1744    5.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6819    2.9170    4.9436 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3605    2.9497    6.2084 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2914    3.9618    3.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948    3.7561    3.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3856    4.8345    2.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9390    5.9931    3.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4861    6.9891    2.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4836    6.8401    1.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    5.6975    0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3817    4.7007    1.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1171   -0.5605    9.7862 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1538   -0.9608    8.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6236   -0.9745   11.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482   -0.1254   11.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1751    0.6395   12.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    1.0675   13.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5787    1.5839   15.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2905    2.7067   15.8023 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316    3.5135   14.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5525    4.5378   14.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    5.4327   13.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5754    4.7509   12.5297 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9342    3.9231   11.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026    4.6520   10.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5475    5.6961   11.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.4155   12.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1290    5.4756   13.7765 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4400    0.5275   16.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5756   -0.2756   16.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2610    0.4257   13.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0429   -0.2408   11.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0477    3.9383   15.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768    4.1131   16.5113 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6325    1.0609   15.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442    1.1717   16.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650    1.0328   14.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4877    4.3726   13.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620    3.0182   11.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378    1.5360   11.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4118    3.1328   10.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6663    0.7146   10.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3987    1.6405    9.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0148    2.5225    7.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7108    1.1589    5.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    1.3777    6.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0522    4.1844    5.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7630    3.9338    3.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9988   -2.0093   11.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358   -1.0661   11.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$