
 CHEMBL348897

 94 96  0  0  0  0  0  0  0  0999 V2000
    4.9691   11.4880    8.6479 C   0  0  0  0  0
    6.1894   10.5655    8.5473 C   0  0  0  0  0
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    1.0850   10.8208    5.2719 H   0  0  0  0  0
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    2.4882   13.7819    2.9696 H   0  0  0  0  0
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   -0.5941   16.3091    6.6767 H   0  0  0  0  0
    2.6293   18.0849    4.4613 H   0  0  0  0  0
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   -6.1953   19.8378    6.9992 H   0  0  0  0  0
   -6.2098   19.5820    8.7514 H   0  0  0  0  0
   -5.7590   18.2563    7.6727 H   0  0  0  0  0
   -2.0347   21.0535    4.7316 H   0  0  0  0  0
    7.4998    5.6260    6.0743 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL348897

>  <PubChem CID>
44375899

>  <Formula>
C32H50N6O6

>  <Molecular Weight>
614.788000

>  <IUPAC Name>
2-[4-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-2-oxoethyl]piperazin-1-yl]-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OCC(CNC(C)C)O)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)OCC(CNC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C32H50N6O6/c1-23(2)33-17-27(39)21-43-29-9-5-25(6-10-29)35-31(41)19-37-13-15-38(16-14-37)20-32(42)36-26-7-11-30(12-8-26)44-22-28(40)18-34-24(3)4/h5-12,23-24,27-28,33-34,39-40H,13-22H2,1-4H3,(H,35,41)(H,36,42)

>  <InChI Key>
LPJYZKCZVLUCST-UHFFFAOYSA-N

