
 CHEMBL140142

 80 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL140142

>  <PubChem CID>
9960272

>  <Formula>
C26H40N6O6S2

>  <Molecular Weight>
596.762000

>  <IUPAC Name>
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[2-[2-[2-[2-[2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1,2,5-thiadiazole

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
CN1CCC=C(C1)C2=NSN=C2OCCOCCOCCOCCOCCOC3=NSN=C3C4=CCCN(C4)C

>  <Isomeric SMILES>
CN1CCC=C(C1)C2=NSN=C2OCCOCCOCCOCCOCCOC3=NSN=C3C4=CCCN(C4)C

>  <InChI Std. ID>
InChI=1S/C26H40N6O6S2/c1-31-7-3-5-21(19-31)23-25(29-39-27-23)37-17-15-35-13-11-33-9-10-34-12-14-36-16-18-38-26-24(28-40-30-26)22-6-4-8-32(2)20-22/h5-6H,3-4,7-20H2,1-2H3

>  <InChI Key>
AAECWYRBNLAANF-UHFFFAOYSA-N

