
 CHEMBL376295

 56 58  0  0  0  0  0  0  0  0999 V2000
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   10.9591   -5.4107   11.2385 H   0  0  0  0  0
    9.8421   -6.6846   11.8634 H   0  0  0  0  0
    9.2214   -5.1146   11.3367 H   0  0  0  0  0
   10.3890   -9.1906    5.8152 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL376295

>  <PubChem CID>
16094810

>  <Formula>
C19H25N5O5S2

>  <Molecular Weight>
467.559000

>  <IUPAC Name>
3-methoxy-4-[3-[3-[3-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]propoxy]propoxy]propoxy]-1,2,5-thiadiazole

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
COC1=NSN=C1OCCCOCCCOCCCOC2=NSN=C2C3=CN=CC=C3

>  <Isomeric SMILES>
COC1=NSN=C1OCCCOCCCOCCCOC2=NSN=C2C3=CN=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H25N5O5S2/c1-25-18-19(24-31-23-18)29-13-5-11-27-9-3-8-26-10-4-12-28-17-16(21-30-22-17)15-6-2-7-20-14-15/h2,6-7,14H,3-5,8-13H2,1H3

>  <InChI Key>
AKPSMQSQINOOPH-UHFFFAOYSA-N

