
 CHEMBL146756

110119  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL146756

>  <PubChem CID>
10462426

>  <Formula>
C46H58N2O4

>  <Molecular Weight>
702.980000

>  <IUPAC Name>


>  <XlogP>
10.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)OC(=O)C=CC(=O)OC5=CC6=C(CC7C8C6(CCCC8)CCN7CC9CCC9)C=C5)CC1CCC1

>  <Isomeric SMILES>
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)OC(=O)/C=C/C(=O)OC5=CC6=C(C[C@@H]7[C@H]8[C@@]6(CCCC8)CCN7CC9CCC9)C=C5)CC1CCC1

>  <InChI Std. ID>
InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1

>  <InChI Key>
AJIAOWVCYKDFGH-KBJNHENKSA-N

