
 CHEMBL1803025

154161  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1803025

>  <PubChem CID>
53364154

>  <Formula>
C58H80N10O6

>  <Molecular Weight>
1013.342000

>  <IUPAC Name>
1-[[3-methoxy-4-[3-[1-[10-[4-[3-[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenoxy]propyl]triazol-1-yl]decyl]triazol-4-yl]propoxy]phenyl]methyl]-4-(2-methoxyphenyl)piperazine

>  <XlogP>
10.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3)OCCCC4=CN(N=N4)CCCCCCCCCCN5C=C(N=N5)CCCOC6=C(C=C(C=C6)CN7CCN(CC7)C8=CC=CC=C8OC)OC)OC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3)OCCCC4=CN(N=N4)CCCCCCCCCCN5C=C(N=N5)CCCOC6=C(C=C(C=C6)CN7CCN(CC7)C8=CC=CC=C8OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C58H80N10O6/c1-69-53-23-13-11-21-51(53)65-35-31-63(32-36-65)43-47-25-27-55(57(41-47)71-3)73-39-17-19-49-45-67(61-59-49)29-15-9-7-5-6-8-10-16-30-68-46-50(60-62-68)20-18-40-74-56-28-26-48(42-58(56)72-4)44-64-33-37-66(38-34-64)52-22-12-14-24-54(52)70-2/h11-14,21-28,41-42,45-46H,5-10,15-20,29-40,43-44H2,1-4H3

>  <InChI Key>
CLZFBRKWSABTPJ-UHFFFAOYSA-N

