
 CHEMBL163154

102103  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL163154

>  <PubChem CID>
13755663

>  <Formula>
C34H56N6O6

>  <Molecular Weight>
644.858000

>  <IUPAC Name>
2-[6-[[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-2-oxoethyl]amino]hexylamino]-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
10

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

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

>  <InChI Std. ID>
InChI=1S/C34H56N6O6/c1-25(2)37-19-29(41)23-45-31-13-9-27(10-14-31)39-33(43)21-35-17-7-5-6-8-18-36-22-34(44)40-28-11-15-32(16-12-28)46-24-30(42)20-38-26(3)4/h9-16,25-26,29-30,35-38,41-42H,5-8,17-24H2,1-4H3,(H,39,43)(H,40,44)

>  <InChI Key>
JFRXWKSHJKGEAT-UHFFFAOYSA-N

