
 CHEMBL1645351

 59 62  0  0  0  0  0  0  0  0999 V2000
    2.8824    3.3875    2.4052 C   0  0  0  0  0
    2.4423    2.2526    1.5869 N   0  0  0  0  0
    1.0016    2.3697    1.2510 C   0  0  0  0  0
    0.0289    2.3967    2.4406 C   0  0  0  0  0
   -1.3087    2.4476    1.9304 O   0  0  0  0  0
   -2.2614    2.5842    2.9771 C   0  0  0  0  0
    3.1966    2.1916    0.3173 C   0  0  0  0  0
    4.6928    1.9712    0.4562 C   0  0  0  0  0
    5.2063    0.6684    0.5943 C   0  0  0  0  0
    6.5994    0.5257    0.5626 C   0  0  0  0  0
    7.4797    1.6116    0.4425 C   0  0  0  0  0
    6.9564    2.9086    0.3971 C   0  0  0  0  0
    5.5658    3.0721    0.3879 C   0  0  0  0  0
    8.7972    1.2037    0.3414 N   0  0  0  0  0
    8.7035   -0.0946    0.3738 C   0  0  0  0  0
    7.4359   -0.5573    0.5587 N   0  0  0  0  0
    7.3025   -1.9252    0.6158 C   0  0  0  0  0
    8.4749   -2.5430    0.3795 C   0  0  0  0  0
    9.8287   -1.4004    0.1894 S   0  0  0  0  0
    8.7794   -4.0026    0.3573 C   0  0  0  0  0
    9.8482   -4.3857    0.8382 O   0  0  0  0  0
    7.8549   -4.9018   -0.1864 N   0  0  0  0  0
    8.2422   -6.3100   -0.1112 C   0  0  0  0  0
    6.7571   -4.5506   -1.1196 C   0  0  0  0  0
    5.4128   -5.1592   -0.6826 C   0  0  0  0  0
    4.2787   -4.7508   -1.6199 C   0  0  0  0  0
    4.6041   -5.0901   -3.0718 C   0  0  0  0  0
    5.9362   -4.4852   -3.5085 C   0  0  0  0  0
    7.0781   -4.9043   -2.5809 C   0  0  0  0  0
    3.9342    3.2878    2.6912 H   0  0  0  0  0
    2.3397    3.4272    3.3544 H   0  0  0  0  0
    2.7494    4.3450    1.8888 H   0  0  0  0  0
    0.7135    1.5152    0.6230 H   0  0  0  0  0
    0.8201    3.2613    0.6338 H   0  0  0  0  0
    0.1977    3.2831    3.0601 H   0  0  0  0  0
    0.1496    1.4961    3.0528 H   0  0  0  0  0
   -3.2601    2.6054    2.5332 H   0  0  0  0  0
   -2.1019    3.5220    3.5183 H   0  0  0  0  0
   -2.1998    1.7360    3.6652 H   0  0  0  0  0
    3.0236    3.0951   -0.2840 H   0  0  0  0  0
    2.8125    1.3597   -0.2904 H   0  0  0  0  0
    4.5463   -0.1914    0.6554 H   0  0  0  0  0
    7.6218    3.7616    0.3198 H   0  0  0  0  0
    5.1633    4.0801    0.3031 H   0  0  0  0  0
    6.3420   -2.3741    0.8093 H   0  0  0  0  0
    8.8047   -6.5723   -1.0118 H   0  0  0  0  0
    7.3614   -6.9482   -0.0242 H   0  0  0  0  0
    8.8744   -6.5046    0.7604 H   0  0  0  0  0
    6.6275   -3.4692   -1.1210 H   0  0  0  0  0
    5.1751   -4.8456    0.3408 H   0  0  0  0  0
    5.4663   -6.2537   -0.6701 H   0  0  0  0  0
    3.3547   -5.2593   -1.3211 H   0  0  0  0  0
    4.0955   -3.6736   -1.5253 H   0  0  0  0  0
    4.6432   -6.1800   -3.1916 H   0  0  0  0  0
    3.8011   -4.7262   -3.7228 H   0  0  0  0  0
    6.1624   -4.7932   -4.5354 H   0  0  0  0  0
    5.8528   -3.3909   -3.5148 H   0  0  0  0  0
    7.2483   -5.9817   -2.6894 H   0  0  0  0  0
    8.0033   -4.4031   -2.8911 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1645351

>  <PubChem CID>
53319509

>  <Formula>
C22H30N4O2S

>  <Molecular Weight>
413.568000

>  <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(C1CCCCC1)C(=O)C2=CN3C4=C(C=CC(=C4)CN([11CH3])CCOC)N=C3S2

>  <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/i1-1

>  <InChI Key>
AQINBUDFKZIGCN-BJUDXGSMSA-N

