
 CHEMBL87455

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL87455

>  <PubChem CID>
10206901

>  <Formula>
C32H38N4O

>  <Molecular Weight>
494.683000

>  <IUPAC Name>
1-[6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]hexyl]piperidine

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NN=C(N1C2=CC=CC=C2OCCCCCCN3CCCCC3)C4=CC=C(C=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=NN=C(N1C2=CC=CC=C2OCCCCCCN3CCCCC3)C4=CC=C(C=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H38N4O/c1-26-33-34-32(29-20-18-28(19-21-29)27-14-6-4-7-15-27)36(26)30-16-8-9-17-31(30)37-25-13-3-2-10-22-35-23-11-5-12-24-35/h4,6-9,14-21H,2-3,5,10-13,22-25H2,1H3

>  <InChI Key>
BWRRQRJOQYKKBG-UHFFFAOYSA-N

