
 CHEMBL284962

101106  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   2   1  10   1
M  END

>  <Chemical Name>
CHEMBL284962

>  <PubChem CID>
44279691

>  <Formula>
C41H52N4O4+2

>  <Molecular Weight>
664.891000

>  <IUPAC Name>


>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)CC4C5=CC=CC=C5C(C3=O)C6=CC=CC=C46

>  <Isomeric SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)CC4C5=CC=CC=C5C(C3=O)C6=CC=CC=C46

>  <InChI Std. ID>
InChI=1S/C41H52N4O4/c1-44(2,25-13-5-6-14-26-45(3,4)28-16-24-43-39(47)34-21-11-12-22-35(34)40(43)48)27-15-23-42-37(46)29-36-30-17-7-9-19-32(30)38(41(42)49)33-20-10-8-18-31(33)36/h7-12,17-22,36,38H,5-6,13-16,23-29H2,1-4H3/q+2

>  <InChI Key>
HTJLDWOQNWFICD-UHFFFAOYSA-N

