
 CHEMBL609120

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

>  <Chemical Name>
CHEMBL609120

>  <PubChem CID>
11422540

>  <Formula>
C42H58N4O4

>  <Molecular Weight>
682.950000

>  <IUPAC Name>
2-[3-[cyclohexyl-[6-[cyclohexyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]amino]hexyl]amino]propyl]-5-methylisoindole-1,3-dione

>  <XlogP>
8.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCN(CCCCCCN(CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C)C5CCCCC5)C6CCCCC6

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCN(CCCCCCN(CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C)C5CCCCC5)C6CCCCC6

>  <InChI Std. ID>
InChI=1S/C42H58N4O4/c1-31-19-21-35-37(29-31)41(49)45(39(35)47)27-13-25-43(33-15-7-5-8-16-33)23-11-3-4-12-24-44(34-17-9-6-10-18-34)26-14-28-46-40(48)36-22-20-32(2)30-38(36)42(46)50/h19-22,29-30,33-34H,3-18,23-28H2,1-2H3

>  <InChI Key>
AJIVYRHHGKFSDJ-UHFFFAOYSA-N

