
 CHEMBL609125

108113  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL609125

>  <PubChem CID>
11331580

>  <Formula>
C46H54N4O4

>  <Molecular Weight>
726.962000

>  <IUPAC Name>
2-[3-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-(3-phenylpropyl)amino]hexyl-(3-phenylpropyl)amino]propyl]isoindole-1,3-dione

>  <XlogP>
8.400

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCN(CCCCCCN(CCCC2=CC=CC=C2)CCCN3C(=O)C4=CC=CC=C4C3=O)CCCN5C(=O)C6=CC=CC=C6C5=O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCN(CCCCCCN(CCCC2=CC=CC=C2)CCCN3C(=O)C4=CC=CC=C4C3=O)CCCN5C(=O)C6=CC=CC=C6C5=O

>  <InChI Std. ID>
InChI=1S/C46H54N4O4/c51-43-39-25-9-10-26-40(39)44(52)49(43)35-17-33-47(31-15-23-37-19-5-3-6-20-37)29-13-1-2-14-30-48(32-16-24-38-21-7-4-8-22-38)34-18-36-50-45(53)41-27-11-12-28-42(41)46(50)54/h3-12,19-22,25-28H,1-2,13-18,23-24,29-36H2

>  <InChI Key>
ANHMENQCYCAXKB-UHFFFAOYSA-N

