
 CHEMBL1928131

167172  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1928131

>  <PubChem CID>
57393627

>  <Formula>
C60H88N6O13

>  <Molecular Weight>
1101.393000

>  <IUPAC Name>
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
17

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)COCCOCCOCCOCCOCCOCCOCCOCCOCC4=CC=C(C=C4)C(=O)NCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)COCCOCCOCCOCCOCCOCCOCCOCCOCC4=CC=C(C=C4)C(=O)NCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <InChI Std. ID>
InChI=1S/C60H88N6O13/c1-69-57-11-5-3-9-55(57)65-29-25-63(26-30-65)23-7-21-61-59(67)53-17-13-51(14-18-53)49-78-47-45-76-43-41-74-39-37-72-35-33-71-34-36-73-38-40-75-42-44-77-46-48-79-50-52-15-19-54(20-16-52)60(68)62-22-8-24-64-27-31-66(32-28-64)56-10-4-6-12-58(56)70-2/h3-6,9-20H,7-8,21-50H2,1-2H3,(H,61,67)(H,62,68)

>  <InChI Key>
FKPUMTSFODZMAY-UHFFFAOYSA-N

