
 CHEMBL1928126

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

>  <Chemical Name>
CHEMBL1928126

>  <PubChem CID>
57390118

>  <Formula>
C54H76N6O9

>  <Molecular Weight>
953.235000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)COCCOCCOCCOCCOCC4=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)COCCOCCOCCOCCOCC4=CC=C(C=C4)C(=O)NCCCCN5CCN(CC5)C6=CC=CC=C6OC

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

>  <InChI Key>
BYUVKVSQQDHYKB-UHFFFAOYSA-N

