
 CHEMBL1645351

 59 62  0  0  0  0  0  0  0  0999 V2000
    1.3819    1.2655   -1.0291 C   0  0  0  0  0
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    0.7551    2.1389   -0.8169 H   0  0  0  0  0
    2.6579    3.5778   -1.9008 H   0  0  0  0  0
    2.4187    2.2887   -3.0454 H   0  0  0  0  0
    4.8107    1.7162   -3.0785 H   0  0  0  0  0
    5.1488    3.0404   -1.9366 H   0  0  0  0  0
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    2.7318    1.5783    1.0438 H   0  0  0  0  0
    2.9349    3.1798    0.3675 H   0  0  0  0  0
    4.5962   -0.2233    0.4398 H   0  0  0  0  0
    7.6208    3.7702    0.6751 H   0  0  0  0  0
    5.1573    4.0652    0.5964 H   0  0  0  0  0
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    8.0029   -4.4016   -2.9062 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1645351

>  <PubChem CID>
18003010

>  <Formula>
C22H30N4O2S

>  <Molecular Weight>
414.568000

>  <IUPAC Name>
N-cyclohexyl-7-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CCOC)CC1=CC2=C(C=C1)N=C3N2C=C(S3)C(=O)N(C)C4CCCCC4

>  <Isomeric SMILES>
CN(CCOC)CC1=CC2=C(C=C1)N=C3N2C=C(S3)C(=O)N(C)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3

>  <InChI Key>
AQINBUDFKZIGCN-UHFFFAOYSA-N

