
 CHEMBL3701970

 43 45  0  0  0  0  0  0  0  0999 V2000
    9.6931    5.4043    0.4201 C   0  0  0  0  0
    9.2771    3.9866    0.0759 C   0  0  0  0  0
   10.4529    3.2234   -0.1916 O   0  0  0  0  0
   10.2885    1.8963   -0.4824 C   0  0  0  0  0
   11.4187    1.1310   -0.7671 C   0  0  0  0  0
   11.3992   -0.1884   -1.0646 N   0  0  0  0  0
   10.1832   -0.7847   -1.0780 C   0  0  0  0  0
    8.9811   -0.1373   -0.8142 C   0  0  0  0  0
    9.0609    1.2304   -0.5104 C   0  0  0  0  0
    7.7205   -0.7527   -0.7842 N   0  0  0  0  0
    7.2968   -2.0835   -0.6415 C   0  0  0  0  0
    8.0716   -3.0960   -0.0753 C   0  0  0  0  0
    7.5901   -4.4099    0.0050 C   0  0  0  0  0
    6.3173   -4.7508   -0.4796 C   0  0  0  0  0
    5.5441   -3.7365   -1.0512 C   0  0  0  0  0
    6.0298   -2.4282   -1.1331 C   0  0  0  0  0
    5.8491   -6.1951   -0.3754 C   0  0  0  0  0
    4.3652   -6.5117   -0.7196 C   0  0  0  0  0
    4.0576   -6.4794   -2.1643 N   0  0  0  0  0
    5.0251   -7.3295   -2.8758 C   0  0  0  0  0
    6.4793   -6.9744   -2.5344 C   0  0  0  0  0
    6.7286   -7.0610   -1.1240 O   0  0  0  0  0
   13.0045    1.8027   -0.7750 Cl  0  0  0  0  0
    8.8162    6.0266    0.6204 H   0  0  0  0  0
   10.2650    5.8505   -0.3996 H   0  0  0  0  0
   10.3393    5.4107    1.3039 H   0  0  0  0  0
    8.6322    4.0065   -0.8105 H   0  0  0  0  0
    8.7330    3.5646    0.9287 H   0  0  0  0  0
   10.2123   -1.8357   -1.3499 H   0  0  0  0  0
    8.1393    1.7565   -0.2856 H   0  0  0  0  0
    6.9485   -0.1087   -0.9193 H   0  0  0  0  0
    9.0489   -2.8839    0.3471 H   0  0  0  0  0
    8.2223   -5.1782    0.4484 H   0  0  0  0  0
    4.5595   -3.9426   -1.4630 H   0  0  0  0  0
    5.4011   -1.6757   -1.6032 H   0  0  0  0  0
    5.9795   -6.4769    0.6782 H   0  0  0  0  0
    3.6939   -5.8246   -0.1924 H   0  0  0  0  0
    4.1359   -7.5220   -0.3562 H   0  0  0  0  0
    3.1162   -6.8391   -2.3175 H   0  0  0  0  0
    4.8351   -8.3768   -2.6118 H   0  0  0  0  0
    4.8667   -7.2254   -3.9541 H   0  0  0  0  0
    7.1523   -7.6843   -3.0261 H   0  0  0  0  0
    6.7420   -5.9748   -2.8991 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701970

>  <PubChem CID>
86766840

>  <Formula>
C17H20ClN3O2

>  <Molecular Weight>
333.816000

>  <IUPAC Name>
6-chloro-5-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-3-amine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC1=C(N=CC(=C1)NC2=CC=C(C=C2)C3CNCCO3)Cl

>  <Isomeric SMILES>
CCOC1=C(N=CC(=C1)NC2=CC=C(C=C2)[C@H]3CNCCO3)Cl

>  <InChI Std. ID>
InChI=1S/C17H20ClN3O2/c1-2-22-15-9-14(10-20-17(15)18)21-13-5-3-12(4-6-13)16-11-19-7-8-23-16/h3-6,9-10,16,19,21H,2,7-8,11H2,1H3/t16-/m1/s1

>  <InChI Key>
LMSQUCVEFRGNAE-MRXNPFEDSA-N

