
 CHEMBL1916550

174181  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1916550

>  <PubChem CID>
56833379

>  <Formula>
C64H90N12O8

>  <Molecular Weight>
1155.500000

>  <IUPAC Name>
3-methoxy-4-[3-[1-[8-[4-[3-[2-methoxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenoxy]propyl]triazol-1-yl]octyl]triazol-4-yl]propoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

>  <XlogP>
9.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC(=C(C=C3)OCCCC4=CN(N=N4)CCCCCCCCN5C=C(N=N5)CCCOC6=C(C=C(C=C6)C(=O)NCCCCN7CCN(CC7)C8=CC=CC=C8OC)OC)OC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC(=C(C=C3)OCCCC4=CN(N=N4)CCCCCCCCN5C=C(N=N5)CCCOC6=C(C=C(C=C6)C(=O)NCCCCN7CCN(CC7)C8=CC=CC=C8OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C64H90N12O8/c1-79-57-25-11-9-23-55(57)73-41-37-71(38-42-73)33-17-13-31-65-63(77)51-27-29-59(61(47-51)81-3)83-45-19-21-53-49-75(69-67-53)35-15-7-5-6-8-16-36-76-50-54(68-70-76)22-20-46-84-60-30-28-52(48-62(60)82-4)64(78)66-32-14-18-34-72-39-43-74(44-40-72)56-24-10-12-26-58(56)80-2/h9-12,23-30,47-50H,5-8,13-22,31-46H2,1-4H3,(H,65,77)(H,66,78)

>  <InChI Key>
HOZYTVYXSUBCBF-UHFFFAOYSA-N

