
 CHEMBL519280

 52 55  0  0  0  0  0  0  0  0999 V2000
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    2.2366   -0.0165    0.4259 C   0  0  0  0  0
    2.9229    1.2591    0.0343 C   0  0  0  0  0
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    4.3003    1.4991    0.0692 N   0  0  0  0  0
    5.3245    0.5550    0.3789 C   0  0  0  0  0
    6.3651    0.8988    1.2536 C   0  0  0  0  0
    7.3714   -0.0284    1.5436 C   0  0  0  0  0
    7.3357   -1.2981    0.9706 C   0  0  0  0  0
    6.3107   -1.6449    0.0945 C   0  0  0  0  0
    5.3120   -0.7160   -0.2118 C   0  0  0  0  0
    8.5674   -2.4395    1.3401 Cl  0  0  0  0  0
    5.7532    3.5878   -0.3020 C   0  0  0  0  0
    5.9865    4.7552    0.4514 C   0  0  0  0  0
    7.1983    5.4473    0.3428 C   0  0  0  0  0
    8.1881    4.9770   -0.5128 C   0  0  0  0  0
    7.9771    3.8287   -1.2713 C   0  0  0  0  0
    6.7607    3.1447   -1.1771 C   0  0  0  0  0
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   -2.2187    4.7924   -2.5460 C   0  0  0  0  0
    1.4328   -0.9977    2.1722 H   0  0  0  0  0
    1.3549    0.7704    2.2535 H   0  0  0  0  0
    2.9014   -0.0593    2.4937 H   0  0  0  0  0
    1.2880   -0.1087   -0.1147 H   0  0  0  0  0
    2.7938   -0.9055    0.1357 H   0  0  0  0  0
    6.3982    1.8646    1.7506 H   0  0  0  0  0
    8.1740    0.2429    2.2259 H   0  0  0  0  0
    6.2881   -2.6312   -0.3614 H   0  0  0  0  0
    4.5632   -0.9939   -0.9498 H   0  0  0  0  0
    7.3678    6.3471    0.9297 H   0  0  0  0  0
    8.7519    3.4628   -1.9424 H   0  0  0  0  0
    6.6088    2.2615   -1.7939 H   0  0  0  0  0
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   -2.9583    4.9895    0.8443 H   0  0  0  0  0
   -0.3073    6.4426   -1.4369 H   0  0  0  0  0
   -0.9288    6.4614    0.2185 H   0  0  0  0  0
   -1.8958    7.1382   -1.1017 H   0  0  0  0  0
   -1.3187    4.8342   -3.1713 H   0  0  0  0  0
   -2.8984    5.5828   -2.8840 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
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 15 20  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL519280

>  <PubChem CID>
24994322

>  <Formula>
C23H21Cl3N4O

>  <Molecular Weight>
475.798000

>  <IUPAC Name>
2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=C(N=C(N1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)C4=NN=C(O4)C(C)(C)C

>  <Isomeric SMILES>
CCC1=C(N=C(N1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)C4=NN=C(O4)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C23H21Cl3N4O/c1-5-18-19(21-28-29-22(31-21)23(2,3)4)27-20(16-11-8-14(25)12-17(16)26)30(18)15-9-6-13(24)7-10-15/h6-12H,5H2,1-4H3

>  <InChI Key>
ADJCXPGWEPCATB-UHFFFAOYSA-N

