
 CHEMBL1928248

145150  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1928248

>  <PubChem CID>
57393634

>  <Formula>
C54H76N6O9

>  <Molecular Weight>
953.235000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
COC1=C(C=CC(=C1)COCCOCCOCCOCCOCC2=CC(=C(C=C2)N3CCN(CC3)CCCCNC(=O)C4=CC=CC=C4)OC)N5CCN(CC5)CCCCNC(=O)C6=CC=CC=C6

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)COCCOCCOCCOCCOCC2=CC(=C(C=C2)N3CCN(CC3)CCCCNC(=O)C4=CC=CC=C4)OC)N5CCN(CC5)CCCCNC(=O)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C54H76N6O9/c1-63-51-41-45(17-19-49(51)59-29-25-57(26-30-59)23-11-9-21-55-53(61)47-13-5-3-6-14-47)43-68-39-37-66-35-33-65-34-36-67-38-40-69-44-46-18-20-50(52(42-46)64-2)60-31-27-58(28-32-60)24-12-10-22-56-54(62)48-15-7-4-8-16-48/h3-8,13-20,41-42H,9-12,21-40,43-44H2,1-2H3,(H,55,61)(H,56,62)

>  <InChI Key>
BGMQCQHMPBHOMK-UHFFFAOYSA-N

