
 CHEMBL75808

 66 69  0  0  0  0  0  0  0  0999 V2000
   10.1104   -0.4871   -0.7926 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL75808

>  <PubChem CID>
12134985

>  <Formula>
C24H34N6O2

>  <Molecular Weight>
438.576000

>  <IUPAC Name>
1-[[2-amino-6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrimidin-4-yl]methyl]piperidin-2-one

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=NC(=NC(=C3)CN4CCCCC4=O)N

>  <Isomeric SMILES>
CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=NC(=NC(=C3)CN4CCCCC4=O)N

>  <InChI Std. ID>
InChI=1S/C24H34N6O2/c1-18(2)32-22-8-4-3-7-21(22)29-13-11-28(12-14-29)16-19-15-20(27-24(25)26-19)17-30-10-6-5-9-23(30)31/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3,(H2,25,26,27)

>  <InChI Key>
BFLQALILHDTZOK-UHFFFAOYSA-N

