
 CHEMBL1803054

137143  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1803054

>  <PubChem CID>
53363201

>  <Formula>
C50H72N10O5

>  <Molecular Weight>
893.191000

>  <IUPAC Name>
1-[[3-methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]phenyl]methyl]-4-methylpiperazine

>  <XlogP>
7.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
CN1CCN(CC1)CC2=CC(=C(C=C2)OCCCC3=CN(N=N3)CCCCCCCCN4C=C(N=N4)CCCOC5=C(C=C(C=C5)CN6CCN(CC6)C7=CC=CC=C7OC)OC)OC

>  <Isomeric SMILES>
CN1CCN(CC1)CC2=CC(=C(C=C2)OCCCC3=CN(N=N3)CCCCCCCCN4C=C(N=N4)CCCOC5=C(C=C(C=C5)CN6CCN(CC6)C7=CC=CC=C7OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C50H72N10O5/c1-55-25-27-56(28-26-55)37-41-19-21-47(49(35-41)62-3)64-33-13-15-43-39-59(53-51-43)23-11-7-5-6-8-12-24-60-40-44(52-54-60)16-14-34-65-48-22-20-42(36-50(48)63-4)38-57-29-31-58(32-30-57)45-17-9-10-18-46(45)61-2/h9-10,17-22,35-36,39-40H,5-8,11-16,23-34,37-38H2,1-4H3

>  <InChI Key>
CAQUTUYOOHXKBM-UHFFFAOYSA-N

