
 CHEMBL1091579

 70 74  0  0  0  0  0  0  0  0999 V2000
    3.9909    4.9417    5.6883 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1091579

>  <PubChem CID>
15602805

>  <Formula>
C28H34N6O2

>  <Molecular Weight>
486.620000

>  <IUPAC Name>
5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C=C(C(=O)NC1=O)CN2CCN(CC2)C3=CC=CN4C3=NC(=C4)C5=CC=C(C=C5)C(C)(C)C

>  <Isomeric SMILES>
CCN1C=C(C(=O)NC1=O)CN2CCN(CC2)C3=CC=CN4C3=NC(=C4)C5=CC=C(C=C5)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)

>  <InChI Key>
AFAITHRNRONGKR-UHFFFAOYSA-N

