
 CHEMBL1256170

 88 94  0  0  0  0  0  0  0  0999 V2000
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    3.3782    0.1019    5.9899 H   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1256170

>  <PubChem CID>
52947756

>  <Formula>
C41H45NO

>  <Molecular Weight>
567.817000

>  <IUPAC Name>


>  <XlogP>
9.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1C2=C3CCC4=CC=C(CCC(=C2)C=C3)C=C4)CCCC(=O)C5=C6CCC7=CC=C(CCC(=C5)C=C6)C=C7

>  <Isomeric SMILES>
C1CN(CCC1C2=C3CCC4=CC=C(CCC(=C2)C=C3)C=C4)CCCC(=O)C5=C6CCC7=CC=C(CCC(=C5)C=C6)C=C7

>  <InChI Std. ID>
InChI=1S/C41H45NO/c43-41(40-29-35-14-12-31-5-9-33(10-6-31)16-20-37(40)22-18-35)2-1-25-42-26-23-38(24-27-42)39-28-34-13-11-30-3-7-32(8-4-30)15-19-36(39)21-17-34/h3-10,17-18,21-22,28-29,38H,1-2,11-16,19-20,23-27H2

>  <InChI Key>
AADWBQLQKGQDIM-UHFFFAOYSA-N

