
 CHEMBL2443000

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2443000

>  <PubChem CID>
72545007

>  <Formula>
C20H30FN5O3

>  <Molecular Weight>
407.490000

>  <IUPAC Name>
1-[[1-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN(N=N3)CCOCCOCCF

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN(N=N3)CCOCCOCCF

>  <InChI Std. ID>
InChI=1S/C20H30FN5O3/c1-27-20-5-3-2-4-19(20)25-9-7-24(8-10-25)16-18-17-26(23-22-18)11-13-29-15-14-28-12-6-21/h2-5,17H,6-16H2,1H3

>  <InChI Key>
BGXXETBYBGTKEP-UHFFFAOYSA-N

