
 CHEMBL164146

 92 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL164146

>  <PubChem CID>
13755658

>  <Formula>
C32H50N4O6

>  <Molecular Weight>
586.774000

>  <IUPAC Name>
N,N'-bis[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]octanediamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=C(C=C2)OCC(CNC(C)C)O)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=C(C=C2)OCC(CNC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C32H50N4O6/c1-23(2)33-19-27(37)21-41-29-15-11-25(12-16-29)35-31(39)9-7-5-6-8-10-32(40)36-26-13-17-30(18-14-26)42-22-28(38)20-34-24(3)4/h11-18,23-24,27-28,33-34,37-38H,5-10,19-22H2,1-4H3,(H,35,39)(H,36,40)

>  <InChI Key>
HFKOVWNTQPGKAA-UHFFFAOYSA-N

