
 CHEMBL91093

 72 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL91093

>  <PubChem CID>
10647341

>  <Formula>
C26H39N5O2

>  <Molecular Weight>
453.631000

>  <IUPAC Name>
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)COC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <Isomeric SMILES>
CC(C)(C)COC1=CC=CC=C1N2CCN(CC2)CCCNC3=C(C=CC=N3)C(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C26H39N5O2/c1-26(2,3)20-33-23-12-7-6-11-22(23)31-18-16-30(17-19-31)15-9-14-28-24-21(10-8-13-27-24)25(32)29(4)5/h6-8,10-13H,9,14-20H2,1-5H3,(H,27,28)

>  <InChI Key>
GPLJLDTUCYLAKS-UHFFFAOYSA-N

