
 CHEMBL153136

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL153136

>  <PubChem CID>
15124076

>  <Formula>
C26H38N4O2

>  <Molecular Weight>
438.616000

>  <IUPAC Name>
1-[[5-[[4-(2-butan-2-yloxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCC4=O

>  <Isomeric SMILES>
CCC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCC4=O

>  <InChI Std. ID>
InChI=1S/C26H38N4O2/c1-4-21(2)32-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-7-11-26(30)31/h5-6,9-10,12-13,21H,4,7-8,11,14-20H2,1-3H3

>  <InChI Key>
CERMMWURJWEJSR-UHFFFAOYSA-N

