
 CHEMBL381452

 71 76  0  0  0  0  0  0  0  0999 V2000
    5.2458   -1.6572   -2.1044 C   0  0  0  0  0
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    5.8562  -11.9867    1.7975 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL381452

>  <PubChem CID>
11512219

>  <Formula>
C30H36N4O

>  <Molecular Weight>
468.645000

>  <IUPAC Name>
5-[2-(1-adamantyl)ethyl]-N-[3-(methylamino)phenyl]-2-(2-methylphenyl)-1H-imidazole-4-carboxamide

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=CC=C6)NC

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=CC=C6)NC

>  <InChI Std. ID>
InChI=1S/C30H36N4O/c1-19-6-3-4-9-25(19)28-33-26(10-11-30-16-20-12-21(17-30)14-22(13-20)18-30)27(34-28)29(35)32-24-8-5-7-23(15-24)31-2/h3-9,15,20-22,31H,10-14,16-18H2,1-2H3,(H,32,35)(H,33,34)

>  <InChI Key>
ADSZJIOMJZXYGA-UHFFFAOYSA-N

