
 CHEMBL460167

 60 65  0  0  0  0  0  0  0  0999 V2000
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    4.0706   -4.2168    0.6354 C   0  0  0  0  0
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    3.2860   -4.4762    2.9178 C   0  0  0  0  0
    3.0192   -5.3268    4.0068 C   0  0  0  0  0
    2.6225   -4.8194    5.2418 C   0  0  0  0  0
    2.4531   -3.4537    5.3923 C   0  0  0  0  0
    2.6965   -2.6012    4.3111 C   0  0  0  0  0
    3.1536   -3.0683    3.0476 C   0  0  0  0  0
    3.8020    2.7999    1.0423 C   0  0  0  0  0
    4.2415    3.8874    2.0088 C   0  0  0  0  0
    3.2901    4.6724    2.6756 C   0  0  0  0  0
    3.6862    5.5514    3.6860 C   0  0  0  0  0
    5.0323    5.6476    4.0353 C   0  0  0  0  0
    5.9916    4.8888    3.3692 C   0  0  0  0  0
    5.5988    4.0151    2.3543 C   0  0  0  0  0
    5.5095    6.6899    5.3191 Cl  0  0  0  0  0
    1.3599    3.0752   -2.2892 O   0  0  0  0  0
    1.4995    3.7973   -3.5095 C   0  0  0  0  0
    1.2402    2.7523   -4.5603 C   0  0  0  0  0
    1.7596    1.5396   -4.0092 O   0  0  0  0  0
    1.2451    1.6465    0.0766 H   0  0  0  0  0
    0.6073    0.0180    0.1387 H   0  0  0  0  0
    1.0441   -0.2479   -2.3316 H   0  0  0  0  0
   -0.0964    1.0335   -1.9584 H   0  0  0  0  0
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    3.5804    2.5633   -1.5970 H   0  0  0  0  0
    3.6902   -0.4212   -2.0904 H   0  0  0  0  0
    4.7338    0.4982   -1.0325 H   0  0  0  0  0
    2.5743   -1.0138   -0.3090 H   0  0  0  0  0
    4.2208    1.8123    3.8257 H   0  0  0  0  0
    4.3788   -2.2321   -0.0627 H   0  0  0  0  0
    4.4392   -4.6648   -0.2838 H   0  0  0  0  0
    3.8108   -6.1081    1.5974 H   0  0  0  0  0
    3.1440   -6.4029    3.9068 H   0  0  0  0  0
    2.4517   -5.4880    6.0800 H   0  0  0  0  0
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    2.5466   -1.5376    4.4856 H   0  0  0  0  0
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    6.3486    3.3908    1.8713 H   0  0  0  0  0
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    0.1677    2.6119   -4.7290 H   0  0  0  0  0
    1.7247    2.9796   -5.5145 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
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  2  3  1  0  0  0
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  3 30  1  0  0  0
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  8  9  2  0  0  0
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  9 10  1  0  0  0
  9 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL460167

>  <PubChem CID>
44581575

>  <Formula>
C28H27ClN2O2

>  <Molecular Weight>
458.986000

>  <IUPAC Name>
5-[(4-chlorophenyl)methyl]-1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-naphthalen-1-ylimidazole

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2(CCC1N3C(=CN=C3C4=CC=CC5=CC=CC=C54)CC6=CC=C(C=C6)Cl)OCCO2

>  <Isomeric SMILES>
C1CC2(CCC1N3C(=CN=C3C4=CC=CC5=CC=CC=C54)CC6=CC=C(C=C6)Cl)OCCO2

>  <InChI Std. ID>
InChI=1S/C28H27ClN2O2/c29-22-10-8-20(9-11-22)18-24-19-30-27(26-7-3-5-21-4-1-2-6-25(21)26)31(24)23-12-14-28(15-13-23)32-16-17-33-28/h1-11,19,23H,12-18H2

>  <InChI Key>
CBMWBVOLPFQNKP-UHFFFAOYSA-N

