
 CHEMBL2028840

 95100  0  0  0  0  0  0  0  0999 V2000
    1.5029   -0.6680   -3.1493 C   0  0  0  0  0
    1.6775    0.7098   -2.5062 C   0  0  0  0  0
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    5.9036    0.9812   -9.0155 H   0  0  0  0  0
    4.6747    3.1330   -9.0961 H   0  0  0  0  0
    4.9699    4.8025   -7.2989 H   0  0  0  0  0
    7.0179    5.5072   -5.5449 H   0  0  0  0  0
    5.5640    4.9411   -4.6976 H   0  0  0  0  0
    9.1041    5.8975   -1.5557 H   0  0  0  0  0
    9.7831    3.3877   -2.7219 H   0  0  0  0  0
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    9.4125   -1.1681   -0.9815 H   0  0  0  0  0
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    9.6090   -0.0879    1.2750 H   0  0  0  0  0
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    7.5542   -0.8078    2.3700 H   0  0  0  0  0
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   12.1188   -3.8987    1.5690 H   0  0  0  0  0
    8.1340    4.3943    0.2508 H   0  0  0  0  0
    7.0734    3.6842   -0.9264 H   0  0  0  0  0
    8.0839    7.2215    0.0929 H   0  0  0  0  0
    6.4337    8.9746    0.6044 H   0  0  0  0  0
    4.0046    8.4856    0.4817 H   0  0  0  0  0
    3.2332    6.2168   -0.1643 H   0  0  0  0  0
    4.8613    4.4561   -0.6940 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2028840

>  <PubChem CID>
70685700

>  <Formula>
C36H46N8O5

>  <Molecular Weight>
670.815000

>  <IUPAC Name>


>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC2C(C1)CC3N2C(=O)C4CC5=CC=CC=C5CN4C(=O)C(NC(=O)CNC(=O)C(NC3=O)CCCN=C(N)N)CC6=CC=CC=C6

>  <Isomeric SMILES>
C1CCC2C(C1)C[C@@H]3N2C(=O)[C@H]4CC5=CC=CC=C5CN4C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC3=O)CCCN=C(N)N)CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C36H46N8O5/c37-36(38)39-16-8-14-26-32(46)40-20-31(45)41-27(17-22-9-2-1-3-10-22)34(48)43-21-25-13-5-4-11-23(25)18-30(43)35(49)44-28-15-7-6-12-24(28)19-29(44)33(47)42-26/h1-5,9-11,13,24,26-30H,6-8,12,14-21H2,(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t24?,26-,27-,28?,29-,30+/m0/s1

>  <InChI Key>
IDSBGVBZEIRGPI-BDXJZSPXSA-N

