
 CHEMBL41211

 53 53  0  0  0  0  0  0  0  0999 V2000
    2.9582    8.1808    2.7534 C   0  0  0  0  0
    3.1330    6.7164    3.1493 C   0  0  0  0  0
    3.5421    5.7704    2.1071 N   0  0  0  0  0
    2.4858    5.3673    1.1797 C   0  0  0  0  0
    1.9782    6.4181    0.2019 C   0  0  0  0  0
    4.8467    6.0281    1.4776 C   0  0  0  0  0
    6.0153    5.9165    2.4732 C   0  0  0  0  0
    7.3340    6.1068    1.8900 N   0  0  0  0  0
    8.4335    6.1373    2.7182 C   0  0  0  0  0
    8.3483    5.9990    3.9349 O   0  0  0  0  0
    9.7723    6.4060    2.1120 C   0  0  0  0  0
   10.7209    6.9698    2.9816 C   0  0  0  0  0
   12.0035    7.2814    2.5394 C   0  0  0  0  0
   12.3887    7.0044    1.2200 C   0  0  0  0  0
   11.4249    6.4836    0.3462 C   0  0  0  0  0
   10.1297    6.1383    0.7771 C   0  0  0  0  0
    9.1957    5.5839   -0.0683 O   0  0  0  0  0
    9.7395    4.7749   -1.1288 C   0  0  0  0  0
    8.6236    4.1353   -1.9798 C   0  0  0  0  0
    8.0035    5.1587   -2.7681 O   0  0  0  0  0
    6.8789    4.6762   -3.4910 C   0  0  0  0  0
    9.1159    3.0562   -2.7844 O   0  0  0  0  0
   10.1263    3.4219   -3.7163 C   0  0  0  0  0
   13.6204    7.4371    0.6991 N   0  0  0  0  0
   13.1188    7.9921    3.6523 Cl  0  0  0  0  0
    1.9096    8.4020    2.5334 H   0  0  0  0  0
    3.5556    8.4709    1.8852 H   0  0  0  0  0
    3.2587    8.8305    3.5837 H   0  0  0  0  0
    2.1996    6.3673    3.6111 H   0  0  0  0  0
    3.8594    6.6692    3.9688 H   0  0  0  0  0
    1.6337    4.9824    1.7549 H   0  0  0  0  0
    2.8417    4.5047    0.6022 H   0  0  0  0  0
    1.4207    7.2078    0.7100 H   0  0  0  0  0
    1.2888    5.9520   -0.5106 H   0  0  0  0  0
    2.7922    6.8708   -0.3707 H   0  0  0  0  0
    4.8724    7.0017    0.9751 H   0  0  0  0  0
    5.0243    5.2816    0.6919 H   0  0  0  0  0
    6.0094    4.9285    2.9498 H   0  0  0  0  0
    5.9160    6.6644    3.2681 H   0  0  0  0  0
    7.4651    6.1368    0.8830 H   0  0  0  0  0
   10.4494    7.1823    4.0164 H   0  0  0  0  0
   11.7163    6.3780   -0.6946 H   0  0  0  0  0
   10.3732    3.9876   -0.7017 H   0  0  0  0  0
   10.3320    5.4056   -1.7999 H   0  0  0  0  0
    7.8677    3.7205   -1.3020 H   0  0  0  0  0
    6.1648    4.1835   -2.8253 H   0  0  0  0  0
    7.1956    3.9905   -4.2818 H   0  0  0  0  0
    6.3857    5.5319   -3.9609 H   0  0  0  0  0
   10.3409    2.5519   -4.3425 H   0  0  0  0  0
   11.0512    3.6984   -3.2024 H   0  0  0  0  0
    9.7957    4.2381   -4.3655 H   0  0  0  0  0
   13.9708    6.8901   -0.0799 H   0  0  0  0  0
   14.3244    7.5789    1.4236 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  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 41  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 24  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 22  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL41211

>  <PubChem CID>
14116938

>  <Formula>
C17H28ClN3O4

>  <Molecular Weight>
373.878000

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

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(OC)OC)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(OC)OC)N)Cl

>  <InChI Std. ID>
InChI=1S/C17H28ClN3O4/c1-5-21(6-2)8-7-20-17(22)12-9-13(18)14(19)10-15(12)25-11-16(23-3)24-4/h9-10,16H,5-8,11,19H2,1-4H3,(H,20,22)

>  <InChI Key>
XWXSUOFPQBJJNG-UHFFFAOYSA-N

