
 CHEMBL462588

 67 70  0  0  0  0  0  0  0  0999 V2000
    0.6303    2.1419   -4.9187 C   0  0  0  0  0
    1.6736    1.5415   -3.9503 C   0  0  0  0  0
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    3.4079    4.2763   -0.8096 C   0  0  0  0  0
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    2.8545    1.9315   -1.6550 C   0  0  0  0  0
    4.7887    4.2132   -1.2769 N   0  0  0  0  0
    5.6150    5.1794   -1.1207 C   0  0  0  0  0
    5.3768    6.4140   -0.5785 N   0  0  0  0  0
    6.3398    7.2507    0.1316 C   0  0  0  0  0
    6.0395    8.7331   -0.1661 C   0  0  0  0  0
    5.7194    9.5556    1.0790 C   0  0  0  0  0
    6.7740    9.3698    2.1647 C   0  0  0  0  0
    7.1014    7.9041    2.4552 C   0  0  0  0  0
    6.2761    6.9227    1.6295 C   0  0  0  0  0
    7.2316    4.8387   -1.7308 S   0  0  0  0  0
    6.7779    4.4536   -3.4452 C   0  0  0  0  0
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    8.7562    4.9122   -4.9646 C   0  0  0  0  0
   10.0966    4.0734   -5.7592 S   0  0  0  0  0
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   10.0726    1.3784   -5.1638 N   0  0  0  0  0
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    8.4506    2.7662   -4.3037 N   0  0  0  0  0
    1.0045    3.0412   -5.4178 H   0  0  0  0  0
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    0.2237    0.3133   -2.8555 H   0  0  0  0  0
    1.8544   -0.3843   -2.8954 H   0  0  0  0  0
    0.8374   -0.4520   -4.3264 H   0  0  0  0  0
    3.3905    2.2028   -5.1506 H   0  0  0  0  0
    2.7778    0.6111   -5.5902 H   0  0  0  0  0
    3.7344    0.8007   -4.1235 H   0  0  0  0  0
    0.9152    2.6172   -2.2333 H   0  0  0  0  0
    1.6454    4.3837   -3.8010 H   0  0  0  0  0
    3.3223    3.8741   -3.6414 H   0  0  0  0  0
    2.8829    5.8210   -2.2404 H   0  0  0  0  0
    1.5086    5.0270   -1.4816 H   0  0  0  0  0
    3.3245    4.8878    0.0964 H   0  0  0  0  0
    3.6919    2.4187    0.2695 H   0  0  0  0  0
    2.0073    2.8947    0.0729 H   0  0  0  0  0
    3.8499    1.7708   -2.0851 H   0  0  0  0  0
    2.5019    0.9590   -1.2973 H   0  0  0  0  0
    4.4270    6.5558   -0.2605 H   0  0  0  0  0
    7.3608    7.0627   -0.2165 H   0  0  0  0  0
    5.2219    8.8418   -0.8893 H   0  0  0  0  0
    6.9227    9.1715   -0.6501 H   0  0  0  0  0
    5.6503   10.6167    0.8125 H   0  0  0  0  0
    4.7349    9.2673    1.4670 H   0  0  0  0  0
    7.6955    9.8857    1.8666 H   0  0  0  0  0
    6.4370    9.8626    3.0845 H   0  0  0  0  0
    8.1674    7.7323    2.2599 H   0  0  0  0  0
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    5.2353    6.9397    1.9805 H   0  0  0  0  0
    6.3024    5.3345   -3.8905 H   0  0  0  0  0
    6.0487    3.6372   -3.4812 H   0  0  0  0  0
    8.6032    5.9764   -5.0759 H   0  0  0  0  0
    8.6148   -0.1643   -4.9716 H   0  0  0  0  0
    9.6695    0.0273   -3.5544 H   0  0  0  0  0
    8.1911    1.5654   -2.6009 H   0  0  0  0  0
    7.0516    1.2337   -3.9389 H   0  0  0  0  0
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  1 30  1  0  0  0
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  2  5  1  0  0  0
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  3 33  1  0  0  0
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 28 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL462588

>  <PubChem CID>
25178569

>  <Formula>
C23H38N4S2

>  <Molecular Weight>
434.705000

>  <IUPAC Name>
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)C1CCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34

>  <Isomeric SMILES>
CC(C)(C)C1CCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34

>  <InChI Std. ID>
InChI=1S/C23H38N4S2/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22/h16-19H,4-15H2,1-3H3,(H,25,26)

>  <InChI Key>
ARVJDGCNDRWPJH-UHFFFAOYSA-N

