
 CHEMBL41696

 98 99  0  0  0  0  0  0  0  0999 V2000
    4.7763   11.5918   -2.4966 C   0  0  0  0  0
    4.5537   12.1070   -1.0743 C   0  0  0  0  0
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    3.3972    4.6633    0.2719 H   0  0  0  0  0
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    3.9347    6.6448   -1.3029 H   0  0  0  0  0
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    8.1557    4.6495   -2.1700 H   0  0  0  0  0
    9.2618    6.5917   -3.0827 H   0  0  0  0  0
    7.9316    6.9244   -4.1917 H   0  0  0  0  0
    8.4160    4.7863   -5.4085 H   0  0  0  0  0
    9.8172    4.5183   -4.3726 H   0  0  0  0  0
   10.9845    6.4154   -5.2324 H   0  0  0  0  0
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   10.7628    4.5667   -6.9585 H   0  0  0  0  0
   12.1508    6.4735   -7.5384 H   0  0  0  0  0
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   11.6669    4.6050  -11.3697 H   0  0  0  0  0
   10.3694    4.7441  -13.4660 H   0  0  0  0  0
    8.4042    6.2561  -13.6039 H   0  0  0  0  0
    7.7456    7.5909  -11.6680 H   0  0  0  0  0
    8.9037    9.3525  -10.5072 H   0  0  0  0  0
    9.1183    9.5942   -8.7987 H   0  0  0  0  0
    6.5183    8.5988  -10.0834 H   0  0  0  0  0
    7.1887    9.2717   -7.1829 H   0  0  0  0  0
    6.7894    7.6479   -7.8041 H   0  0  0  0  0
    4.6609    8.5855   -8.5313 H   0  0  0  0  0
    4.8790    7.4579   -6.3915 H   0  0  0  0  0
    5.0244   10.3596   -5.3823 H   0  0  0  0  0
    6.2718    9.1174   -5.1664 H   0  0  0  0  0
    4.7133    8.9400   -4.3689 H   0  0  0  0  0
    2.8043    9.7017   -6.6381 H   0  0  0  0  0
    2.6756    8.2744   -5.5967 H   0  0  0  0  0
    2.6854    8.0827   -7.3528 H   0  0  0  0  0
    5.9097   10.6800   -9.0057 H   0  0  0  0  0
    1.3495   12.1338    2.8037 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL41696

>  <PubChem CID>
44286997

>  <Formula>
C34H56N2O6

>  <Molecular Weight>
588.830000

>  <IUPAC Name>
(2S)-1-[2-[10-[2-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]decoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=CC=C1OCCCCCCCCCCOC2=CC=CC=C2OCC(CNC(C)C)O)O

>  <Isomeric SMILES>
CC(C)NC[C@H](COC1=CC=CC=C1OCCCCCCCCCCOC2=CC=CC=C2OC[C@H](CNC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C34H56N2O6/c1-27(2)35-23-29(37)25-41-33-19-13-11-17-31(33)39-21-15-9-7-5-6-8-10-16-22-40-32-18-12-14-20-34(32)42-26-30(38)24-36-28(3)4/h11-14,17-20,27-30,35-38H,5-10,15-16,21-26H2,1-4H3/t29-,30+

>  <InChI Key>
CUZAPGXPHCPHPH-RNPORBBMSA-N

