
 CHEMBL417148

 51 52  0  0  0  0  0  0  0  0999 V2000
    4.3380   -0.8256   -3.7317 C   0  0  0  0  0
    5.5986   -0.0104   -4.0171 C   0  0  0  0  0
    5.4990    1.4497   -3.9341 N   0  0  0  0  0
    5.1293    2.1108   -5.1910 C   0  0  0  0  0
    3.7717    1.7631   -5.7894 C   0  0  0  0  0
    4.7763    1.9824   -2.7663 C   0  0  0  0  0
    5.4123    1.6265   -1.4045 C   0  0  0  0  0
    6.7465    2.1725   -1.2302 N   0  0  0  0  0
    6.9508    3.4669   -0.8159 C   0  0  0  0  0
    6.0257    4.2239   -0.5323 O   0  0  0  0  0
    8.3600    3.9647   -0.7488 C   0  0  0  0  0
    8.5188    5.3586   -0.8418 C   0  0  0  0  0
    9.7847    5.9364   -0.7669 C   0  0  0  0  0
   10.9294    5.1392   -0.6323 C   0  0  0  0  0
   10.7608    3.7555   -0.4827 C   0  0  0  0  0
    9.4922    3.1489   -0.5550 C   0  0  0  0  0
    9.2957    1.7956   -0.4175 O   0  0  0  0  0
   10.4491    0.9902   -0.1513 C   0  0  0  0  0
   10.0655   -0.4669   -0.0389 C   0  0  0  0  0
    9.2315   -0.9020    0.9891 C   0  0  0  0  0
    8.9527   -2.2619    1.0972 C   0  0  0  0  0
    9.5053   -3.1471    0.1793 C   0  0  0  0  0
   10.3175   -2.6336   -0.8161 C   0  0  0  0  0
   10.6112   -1.3214   -0.9427 N   0  0  0  0  0
   12.2038    5.6962   -0.4147 N   0  0  0  0  0
    9.9185    7.6569   -0.8808 Cl  0  0  0  0  0
    4.5409   -1.8879   -3.9058 H   0  0  0  0  0
    3.5008   -0.5452   -4.3739 H   0  0  0  0  0
    4.0152   -0.7251   -2.6913 H   0  0  0  0  0
    5.9898   -0.2980   -5.0013 H   0  0  0  0  0
    6.3705   -0.3353   -3.3085 H   0  0  0  0  0
    5.9015    1.8929   -5.9397 H   0  0  0  0  0
    5.1785    3.1984   -5.0513 H   0  0  0  0  0
    3.7541    0.7371   -6.1685 H   0  0  0  0  0
    3.5629    2.4204   -6.6407 H   0  0  0  0  0
    2.9601    1.8896   -5.0672 H   0  0  0  0  0
    3.7317    1.6490   -2.7721 H   0  0  0  0  0
    4.7481    3.0778   -2.8339 H   0  0  0  0  0
    5.4850    0.5444   -1.2627 H   0  0  0  0  0
    4.7718    2.0166   -0.6048 H   0  0  0  0  0
    7.5369    1.6317   -1.5626 H   0  0  0  0  0
    7.6451    5.9963   -0.9665 H   0  0  0  0  0
   11.6558    3.1700   -0.2970 H   0  0  0  0  0
   10.9173    1.2920    0.7944 H   0  0  0  0  0
   11.1716    1.0935   -0.9702 H   0  0  0  0  0
    8.8128   -0.1967    1.7006 H   0  0  0  0  0
    8.3130   -2.6283    1.8951 H   0  0  0  0  0
    9.3096   -4.2116    0.2385 H   0  0  0  0  0
   10.7726   -3.2827   -1.5585 H   0  0  0  0  0
   12.9793    5.1119   -0.7103 H   0  0  0  0  0
   12.2782    6.6499   -0.7667 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
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 25 50  1  0  0  0
 25 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL417148

>  <PubChem CID>
14116928

>  <Formula>
C19H25ClN4O2

>  <Molecular Weight>
376.885000

>  <IUPAC Name>
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC2=CC=CC=N2)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC2=CC=CC=N2)N)Cl

>  <InChI Std. ID>
InChI=1S/C19H25ClN4O2/c1-3-24(4-2)10-9-23-19(25)15-11-16(20)17(21)12-18(15)26-13-14-7-5-6-8-22-14/h5-8,11-12H,3-4,9-10,13,21H2,1-2H3,(H,23,25)

>  <InChI Key>
WJXMHSPYDSGKRB-UHFFFAOYSA-N

