
 CHEMBL1258154

 67 71  0  0  0  0  0  0  0  0999 V2000
    2.4953    5.7947    1.7124 C   0  0  0  0  0
    1.1364    5.5865    0.9461 C   0  0  0  0  0
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   -3.5687    5.0666    9.7760 C   0  0  0  0  0
   -6.3003    4.4579   12.6357 Cl  0  0  0  0  0
    2.3939    6.6362    2.4087 H   0  0  0  0  0
    3.2550    6.1064    0.9835 H   0  0  0  0  0
    1.1451    6.1808    0.0240 H   0  0  0  0  0
    0.3290    6.0088    1.5586 H   0  0  0  0  0
   -0.7262    4.0008    2.1255 H   0  0  0  0  0
    2.4411   -0.2595    0.7416 H   0  0  0  0  0
    1.0516   -0.6559    1.6947 H   0  0  0  0  0
    3.5261   -0.2495    2.7715 H   0  0  0  0  0
    2.0819    0.0798    3.6869 H   0  0  0  0  0
    4.6788    1.7671    1.5324 H   0  0  0  0  0
    4.6068    4.1629    1.0583 H   0  0  0  0  0
    1.5362    4.6738    4.0483 H   0  0  0  0  0
    1.6085    2.2746    4.5166 H   0  0  0  0  0
    2.5021    1.5388   -0.6906 H   0  0  0  0  0
    2.2463    3.9424   -0.9773 H   0  0  0  0  0
   -2.8577    1.0964    2.0060 H   0  0  0  0  0
   -2.4834    2.7850    2.3049 H   0  0  0  0  0
   -2.7725    0.5921    4.4195 H   0  0  0  0  0
   -3.9514    1.8330    4.0673 H   0  0  0  0  0
   -1.1364    2.2271    5.2067 H   0  0  0  0  0
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   -3.6093    5.1065   11.9326 H   0  0  0  0  0
   -2.5185    5.3402    9.7835 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3 16  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5 17  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
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  8  9  1  0  0  0
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  9 10  2  0  0  0
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 32 66  1  0  0  0
 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1258154

>  <PubChem CID>
49782837

>  <Formula>
C30H33ClN2O

>  <Molecular Weight>
473.057000

>  <IUPAC Name>


>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)C(=O)CCCN4CCN(CC4)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)C(=O)CCCN4CCN(CC4)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C30H33ClN2O/c31-27-13-15-28(16-14-27)33-20-18-32(19-21-33)17-1-2-30(34)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2

>  <InChI Key>
LOOROOGJSWXTHW-UHFFFAOYSA-N

