
 CHEMBL86936

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL86936

>  <PubChem CID>
10907482

>  <Formula>
C32H37N5O2

>  <Molecular Weight>
523.681000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NN=C(N1C2=CC=CC=C2OCCCCCC(=O)N3CCN(CC3)C)C4=CC=C(C=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=NN=C(N1C2=CC=CC=C2OCCCCCC(=O)N3CCN(CC3)C)C4=CC=C(C=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H37N5O2/c1-25-33-34-32(28-18-16-27(17-19-28)26-11-5-3-6-12-26)37(25)29-13-8-9-14-30(29)39-24-10-4-7-15-31(38)36-22-20-35(2)21-23-36/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-24H2,1-2H3

>  <InChI Key>
BQNUUTOEFJBHRB-UHFFFAOYSA-N

