
 CHEMBL1256169

 89 95  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1256169

>  <PubChem CID>
49782602

>  <Formula>
C41H45NO2

>  <Molecular Weight>
583.816000

>  <IUPAC Name>


>  <XlogP>
8.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)C(=O)CCCN4CCC(CC4)(C5=C6CCC7=CC=C(CCC(=C5)C=C6)C=C7)O

>  <Isomeric SMILES>
C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)C(=O)CCCN4CCC(CC4)(C5=C6CCC7=CC=C(CCC(=C5)C=C6)C=C7)O

>  <InChI Std. ID>
InChI=1S/C41H45NO2/c43-40(38-28-34-13-11-30-3-7-32(8-4-30)15-19-36(38)20-17-34)2-1-25-42-26-23-41(44,24-27-42)39-29-35-14-12-31-5-9-33(10-6-31)16-21-37(39)22-18-35/h3-10,17-18,20,22,28-29,44H,1-2,11-16,19,21,23-27H2

>  <InChI Key>
IJSPBXBGZJAXBL-UHFFFAOYSA-N

