
 CHEMBL159891

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.6564    0.6451    1.6646 C   0  0  0  0  0
    3.3781    0.2490    0.4994 O   0  0  0  0  0
    3.6718    1.2456   -0.3994 C   0  0  0  0  0
    2.8600    2.3811   -0.5605 C   0  0  0  0  0
    3.1700    3.3723   -1.5017 C   0  0  0  0  0
    4.3671    3.2538   -2.2249 C   0  0  0  0  0
    5.1722    2.1236   -2.0937 C   0  0  0  0  0
    4.8198    1.1001   -1.2004 C   0  0  0  0  0
    5.7297   -0.0863   -1.1633 C   0  0  0  0  0
    6.8775    0.0086   -1.5859 O   0  0  0  0  0
    5.2059   -1.2655   -0.6858 N   0  0  0  0  0
    6.0018   -2.4926   -0.5749 C   0  0  0  0  0
    5.0781   -3.7106   -0.7373 C   0  0  0  0  0
    4.4555   -4.1886    0.5764 C   0  0  0  0  0
    5.3431   -4.2013    1.7455 N   0  0  0  0  0
    6.4493   -5.1763    1.6367 C   0  0  0  0  0
    7.6011   -4.8037    0.6797 C   0  0  0  0  0
    7.9541   -3.4177    0.6963 O   0  0  0  0  0
    6.8295   -2.5156    0.7369 C   0  0  0  0  0
    5.9380   -2.8652    1.9334 C   0  0  0  0  0
    4.8459    4.4834   -3.3430 Cl  0  0  0  0  0
    2.3963    4.5475   -1.5348 N   0  0  0  0  0
    2.7498   -0.1578    2.4019 H   0  0  0  0  0
    1.5930    0.7665    1.4363 H   0  0  0  0  0
    3.0721    1.5565    2.1090 H   0  0  0  0  0
    1.9640    2.5110    0.0386 H   0  0  0  0  0
    6.0770    2.0344   -2.6924 H   0  0  0  0  0
    4.3011   -1.2197   -0.2270 H   0  0  0  0  0
    6.7007   -2.4956   -1.4210 H   0  0  0  0  0
    5.6315   -4.5367   -1.1935 H   0  0  0  0  0
    4.2749   -3.4863   -1.4519 H   0  0  0  0  0
    4.0230   -5.1864    0.4310 H   0  0  0  0  0
    3.6009   -3.5398    0.8105 H   0  0  0  0  0
    6.8784   -5.2751    2.6429 H   0  0  0  0  0
    6.0648   -6.1730    1.3886 H   0  0  0  0  0
    8.4975   -5.3653    0.9659 H   0  0  0  0  0
    7.3878   -5.0997   -0.3496 H   0  0  0  0  0
    7.2624   -1.5227    0.9055 H   0  0  0  0  0
    5.1485   -2.1164    2.0712 H   0  0  0  0  0
    6.5302   -2.8652    2.8575 H   0  0  0  0  0
    1.4108    4.4129   -1.3334 H   0  0  0  0  0
    2.5493    5.0913   -2.3837 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL159891

>  <PubChem CID>
15651203

>  <Formula>
C15H20ClN3O3

>  <Molecular Weight>
325.793000

>  <IUPAC Name>
4-amino-5-chloro-2-methoxy-N-(4-oxa-1-azabicyclo[3.3.1]nonan-6-yl)benzamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)NC2CCN3CCOC2C3)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)NC2CCN3CCOC2C3)Cl)N

>  <InChI Std. ID>
InChI=1S/C15H20ClN3O3/c1-21-13-7-11(17)10(16)6-9(13)15(20)18-12-2-3-19-4-5-22-14(12)8-19/h6-7,12,14H,2-5,8,17H2,1H3,(H,18,20)

>  <InChI Key>
DJOWCLQOXZPXAD-UHFFFAOYSA-N

