
 CHEMBL1928132

173178  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1928132

>  <PubChem CID>
56837635

>  <Formula>
C62H92N6O13

>  <Molecular Weight>
1129.447000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
17

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)COCCOCCOCCOCCOCCOCCOCCOCCOCC4=CC=C(C=C4)C(=O)NCCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)COCCOCCOCCOCCOCCOCCOCCOCCOCC4=CC=C(C=C4)C(=O)NCCCCN5CCN(CC5)C6=CC=CC=C6OC

>  <InChI Std. ID>
InChI=1S/C62H92N6O13/c1-71-59-13-5-3-11-57(59)67-31-27-65(28-32-67)25-9-7-23-63-61(69)55-19-15-53(16-20-55)51-80-49-47-78-45-43-76-41-39-74-37-35-73-36-38-75-40-42-77-44-46-79-48-50-81-52-54-17-21-56(22-18-54)62(70)64-24-8-10-26-66-29-33-68(34-30-66)58-12-4-6-14-60(58)72-2/h3-6,11-22H,7-10,23-52H2,1-2H3,(H,63,69)(H,64,70)

>  <InChI Key>
AMKQYZPSQCPQGB-UHFFFAOYSA-N

