
 CHEMBL210461

 72 76  0  0  0  0  0  0  0  0999 V2000
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   -8.4328   -3.1149   -1.2185 C   0  0  0  0  0
   -9.1786   -1.4918   -5.3633 Cl  0  0  0  0  0
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   -1.4833    1.8813   -3.1836 H   0  0  0  0  0
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   -3.5899    7.3855    1.2816 H   0  0  0  0  0
   -4.1353    5.9404    2.0844 H   0  0  0  0  0
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   -1.7990    1.0951    2.2949 H   0  0  0  0  0
   -2.9185    1.9501    4.8196 H   0  0  0  0  0
   -2.4373    0.3124    4.3481 H   0  0  0  0  0
   -5.0516    1.7005    3.5104 H   0  0  0  0  0
   -4.9051    0.5494    4.8387 H   0  0  0  0  0
   -4.1106   -1.2053    3.2603 H   0  0  0  0  0
   -4.2548   -0.1023    1.9103 H   0  0  0  0  0
   -6.4974   -1.0998    3.7272 H   0  0  0  0  0
   -6.1600   -1.6731    2.1045 H   0  0  0  0  0
   -5.7003    1.1581    0.8654 H   0  0  0  0  0
   -7.3666    1.6063    0.6581 H   0  0  0  0  0
   -6.6493    0.2044   -1.1982 H   0  0  0  0  0
   -6.1418   -1.0983   -0.1273 H   0  0  0  0  0
   -9.7837   -1.5372    1.0360 H   0  0  0  0  0
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   -8.7567   -0.6493    3.1443 H   0  0  0  0  0
   -8.9781   -4.1171   -4.4168 H   0  0  0  0  0
   -8.5754   -5.0479   -2.1634 H   0  0  0  0  0
   -8.2327   -3.5757   -0.2559 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
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  3 16  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
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  6 15  1  0  0  0
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  8 46  1  0  0  0
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  9 10  2  0  0  0
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 31 32  1  0  0  0
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 32 33  2  0  0  0
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 35 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL210461

>  <PubChem CID>
11706497

>  <Formula>
C31H35Cl2N3O

>  <Molecular Weight>
536.541000

>  <IUPAC Name>


>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)C(=O)NCCCCN4CCN(CC4)C5=C(C(=CC=C5)Cl)Cl

>  <Isomeric SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)C(=O)NCCCCN4CCN(CC4)C5=C(C(=CC=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C31H35Cl2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)

>  <InChI Key>
ACKGCCXJFAZCFF-UHFFFAOYSA-N

