
 CHEMBL481707

 68 73  0  0  0  0  0  0  0  0999 V2000
    3.9040   -2.1626   -2.1610 C   0  0  0  0  0
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    5.2421    3.6559    2.6929 O   0  0  0  0  0
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    6.6296   -5.9985   -1.7332 H   0  0  0  0  0
    6.6513   -3.9268    0.5397 H   0  0  0  0  0
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    5.5828   -4.1623   -2.2793 H   0  0  0  0  0
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    4.8810   -0.8852    3.3371 H   0  0  0  0  0
    4.9991    1.1997    2.6194 H   0  0  0  0  0
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    7.1542    6.7290    5.5258 H   0  0  0  0  0
    7.3300    4.5605    4.2733 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  9  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL481707

>  <PubChem CID>
25208249

>  <Formula>
C29H35N3O

>  <Molecular Weight>
441.619000

>  <IUPAC Name>
2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5=CC6=CC=CC=C6O5

>  <Isomeric SMILES>
CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5=CC6=CC=CC=C6O5

>  <InChI Std. ID>
InChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3

>  <InChI Key>
AGSZYJIDXUVIHA-UHFFFAOYSA-N

