
 CHEMBL425574

 78 83  0  0  0  0  0  0  0  0999 V2000
    3.6944   -4.8694    0.9887 C   0  0  0  0  0
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    5.3665   -0.6638   -0.2991 H   0  0  0  0  0
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    9.7656    3.8566   -0.3850 H   0  0  0  0  0
    8.2622    3.0105   -0.0788 H   0  0  0  0  0
    7.7602    2.9614   -2.5291 H   0  0  0  0  0
    9.2900    3.7406   -2.8774 H   0  0  0  0  0
    6.9272    4.8161   -0.0462 H   0  0  0  0  0
    5.8753    4.3024   -1.3622 H   0  0  0  0  0
    5.0703    6.4228   -0.3326 H   0  0  0  0  0
    4.6748    6.0620   -2.7703 H   0  0  0  0  0
    4.9056    7.7738   -2.4217 H   0  0  0  0  0
    6.2317    7.0962   -4.4235 H   0  0  0  0  0
    6.5646    4.7122   -3.8061 H   0  0  0  0  0
    8.1049    5.4834   -4.1690 H   0  0  0  0  0
    7.1388    8.8924   -2.9493 H   0  0  0  0  0
    8.4481    7.9504   -3.6587 H   0  0  0  0  0
    8.8381    8.3120   -1.2203 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL425574

>  <PubChem CID>
11555184

>  <Formula>
C31H41N3O3

>  <Molecular Weight>
503.687000

>  <IUPAC Name>
5-[[5-[2-(1-adamantyl)ethyl]-2-(1-methylcyclohexyl)-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid

>  <XlogP>
8.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3(CCCCC3)C)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3(CCCCC3)C)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H41N3O3/c1-19-6-7-23(15-24(19)28(36)37)32-27(35)26-25(33-29(34-26)30(2)9-4-3-5-10-30)8-11-31-16-20-12-21(17-31)14-22(13-20)18-31/h6-7,15,20-22H,3-5,8-14,16-18H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)

>  <InChI Key>
PZLNPXKYCTZVAW-UHFFFAOYSA-N

