
 CHEMBL390519

 70 75  0  0  0  0  0  0  0  0999 V2000
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    0.3080    0.9631    7.4131 H   0  0  0  0  0
   -1.1622    3.3562    9.8886 H   0  0  0  0  0
   -1.0132    1.6507    9.4718 H   0  0  0  0  0
   -3.2770    2.5176    8.8650 H   0  0  0  0  0
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    2.0245   -6.0373    3.1688 H   0  0  0  0  0
    3.9242   -9.9259    4.1836 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
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 35 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL390519

>  <PubChem CID>
9832467

>  <Formula>
C28H35N3O4

>  <Molecular Weight>
477.605000

>  <IUPAC Name>
3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

>  <Isomeric SMILES>
C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

>  <InChI Std. ID>
InChI=1S/C28H35N3O4/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31-24)20-5-2-1-3-6-20)16-35-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,30,31)(H,33,34)

>  <InChI Key>
RKPUHYCGNGSOCF-UHFFFAOYSA-N

