
 CHEMBL41381

 56 56  0  0  0  0  0  0  0  0999 V2000
    4.5186   -2.4632    1.1330 C   0  0  0  0  0
    5.5461   -1.3336    1.1373 C   0  0  0  0  0
    5.4916   -0.4479   -0.0403 N   0  0  0  0  0
    4.1640    0.1447   -0.2774 C   0  0  0  0  0
    3.6079    1.0339    0.8302 C   0  0  0  0  0
    6.5766    0.5579    0.0514 C   0  0  0  0  0
    6.7547    1.4408   -1.2003 C   0  0  0  0  0
    7.9098    2.3177   -1.1017 N   0  0  0  0  0
    7.8372    3.5773   -0.5526 C   0  0  0  0  0
    6.7947    4.0478   -0.1060 O   0  0  0  0  0
    9.0859    4.4017   -0.5490 C   0  0  0  0  0
    8.9133    5.7929   -0.4829 C   0  0  0  0  0
   10.0190    6.6434   -0.4943 C   0  0  0  0  0
   11.3254    6.1302   -0.5227 C   0  0  0  0  0
   11.4907    4.7441   -0.6279 C   0  0  0  0  0
   10.3886    3.8754   -0.6126 C   0  0  0  0  0
   10.5425    2.5199   -0.7431 O   0  0  0  0  0
   11.6466    1.9448   -0.0322 C   0  0  0  0  0
   11.4624    0.4337   -0.0704 C   0  0  0  0  0
   12.5385   -0.2198    0.5984 O   0  0  0  0  0
   12.6276   -1.6155    0.2821 C   0  0  0  0  0
   11.4417   -2.4532    0.7849 C   0  0  0  0  0
   10.2071   -2.1880    0.1088 O   0  0  0  0  0
   10.1498   -2.6889   -1.2183 C   0  0  0  0  0
   12.4485    6.9633   -0.6840 N   0  0  0  0  0
    9.7461    8.3515   -0.4547 Cl  0  0  0  0  0
    4.7224   -3.1536    1.9596 H   0  0  0  0  0
    4.5595   -3.0344    0.2013 H   0  0  0  0  0
    3.5004   -2.0884    1.2703 H   0  0  0  0  0
    6.5361   -1.8084    1.1678 H   0  0  0  0  0
    5.4448   -0.7611    2.0682 H   0  0  0  0  0
    3.4419   -0.6560   -0.4794 H   0  0  0  0  0
    4.1776    0.7139   -1.2132 H   0  0  0  0  0
    3.4566    0.4766    1.7604 H   0  0  0  0  0
    2.6343    1.4335    0.5276 H   0  0  0  0  0
    4.2614    1.8866    1.0364 H   0  0  0  0  0
    7.5261    0.0258    0.1974 H   0  0  0  0  0
    6.4495    1.1933    0.9362 H   0  0  0  0  0
    5.8719    2.0647   -1.3667 H   0  0  0  0  0
    6.9052    0.8162   -2.0866 H   0  0  0  0  0
    8.8184    1.9661   -1.3841 H   0  0  0  0  0
    7.9104    6.2130   -0.4458 H   0  0  0  0  0
   12.4962    4.3550   -0.7572 H   0  0  0  0  0
   11.6729    2.2938    1.0089 H   0  0  0  0  0
   12.5974    2.1983   -0.5148 H   0  0  0  0  0
   11.4061    0.1128   -1.1158 H   0  0  0  0  0
   10.5152    0.1882    0.4183 H   0  0  0  0  0
   13.5356   -1.9793    0.7738 H   0  0  0  0  0
   12.7808   -1.7259   -0.7963 H   0  0  0  0  0
   11.2684   -2.2226    1.8418 H   0  0  0  0  0
   11.6691   -3.5223    0.7081 H   0  0  0  0  0
    9.1484   -2.4973   -1.6074 H   0  0  0  0  0
   10.3343   -3.7656   -1.2342 H   0  0  0  0  0
   10.8655   -2.1743   -1.8625 H   0  0  0  0  0
   13.3148    6.5816   -0.3181 H   0  0  0  0  0
   12.2771    7.9170   -0.3680 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  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 55  1  0  0  0
 25 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL41381

>  <PubChem CID>
14116941

>  <Formula>
C18H30ClN3O4

>  <Molecular Weight>
387.905000

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

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCOCCOC)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCOCCOC)N)Cl

>  <InChI Std. ID>
InChI=1S/C18H30ClN3O4/c1-4-22(5-2)7-6-21-18(23)14-12-15(19)16(20)13-17(14)26-11-10-25-9-8-24-3/h12-13H,4-11,20H2,1-3H3,(H,21,23)

>  <InChI Key>
SBQNXJKQGLWJLB-UHFFFAOYSA-N

