
 CHEMBL41276

 57 58  0  0  0  0  0  0  0  0999 V2000
    7.9565   -1.0900    0.8208 C   0  0  0  0  0
    6.6587   -0.2966    0.6979 C   0  0  0  0  0
    6.4447    0.4202   -0.5682 N   0  0  0  0  0
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    8.6618    3.4939   -0.1517 N   0  0  0  0  0
    8.5125    4.5606   -1.0058 C   0  0  0  0  0
    7.4298    4.8857   -1.4826 O   0  0  0  0  0
    9.7392    5.3554   -1.3276 C   0  0  0  0  0
    9.5268    6.6697   -1.7724 C   0  0  0  0  0
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   11.9232    7.0099   -2.0201 C   0  0  0  0  0
   12.1317    5.7111   -1.5369 C   0  0  0  0  0
   11.0571    4.8800   -1.1804 C   0  0  0  0  0
   11.2336    3.6025   -0.7108 O   0  0  0  0  0
   12.4257    3.3106    0.0331 C   0  0  0  0  0
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   13.6918    3.7517    2.2007 C   0  0  0  0  0
   13.7722    2.3565    2.5267 O   0  0  0  0  0
   14.9896    1.8938    1.9368 C   0  0  0  0  0
   15.8233    3.1348    1.7674 C   0  0  0  0  0
   14.8549    4.1340    1.4507 O   0  0  0  0  0
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   13.0360    7.8515   -2.2074 N   0  0  0  0  0
   10.2924    9.1208   -2.5749 Cl  0  0  0  0  0
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    8.8332   -0.4363    0.8017 H   0  0  0  0  0
    8.0576   -1.8345    0.0259 H   0  0  0  0  0
    6.6037    0.4137    1.5309 H   0  0  0  0  0
    5.8161   -0.9725    0.8845 H   0  0  0  0  0
    7.1952   -1.0186   -1.9528 H   0  0  0  0  0
    6.0724    0.1596   -2.6178 H   0  0  0  0  0
    5.3067   -2.2229   -0.8838 H   0  0  0  0  0
    4.9310   -1.9246   -2.5804 H   0  0  0  0  0
    4.1864   -0.9157   -1.3323 H   0  0  0  0  0
    7.2412    1.9106   -1.8284 H   0  0  0  0  0
    8.4565    0.9708   -0.9915 H   0  0  0  0  0
    7.8063    2.1956    1.1676 H   0  0  0  0  0
    6.6372    3.1368    0.2182 H   0  0  0  0  0
    9.6065    3.2180    0.0925 H   0  0  0  0  0
    8.5133    7.0568   -1.8562 H   0  0  0  0  0
   13.1568    5.3680   -1.4423 H   0  0  0  0  0
   13.3226    3.4907   -0.5676 H   0  0  0  0  0
   12.4015    2.2297    0.2123 H   0  0  0  0  0
   11.5376    3.7344    1.9372 H   0  0  0  0  0
   12.3482    5.1156    1.2145 H   0  0  0  0  0
   15.4616    1.1377    2.5693 H   0  0  0  0  0
   14.7431    1.4456    0.9687 H   0  0  0  0  0
   16.3249    3.4186    2.6989 H   0  0  0  0  0
   16.5670    3.0504    0.9712 H   0  0  0  0  0
   14.5373    4.3350    4.1196 H   0  0  0  0  0
   12.7768    4.2826    4.1057 H   0  0  0  0  0
   13.6466    5.6247    3.3125 H   0  0  0  0  0
   13.8774    7.3776   -2.5210 H   0  0  0  0  0
   12.8159    8.6726   -2.7702 H   0  0  0  0  0
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  2  3  1  0  0  0
  2 31  1  0  0  0
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  3  6  1  0  0  0
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  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
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  6 39  1  0  0  0
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  8  9  1  0  0  0
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  9 11  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL41276

>  <PubChem CID>
14116922

>  <Formula>
C19H30ClN3O4

>  <Molecular Weight>
399.916000

>  <IUPAC Name>
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethoxy]benzamide

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCC2(OCCO2)C)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCC2(OCCO2)C)N)Cl

>  <InChI Std. ID>
InChI=1S/C19H30ClN3O4/c1-4-23(5-2)8-7-22-18(24)14-12-15(20)16(21)13-17(14)25-9-6-19(3)26-10-11-27-19/h12-13H,4-11,21H2,1-3H3,(H,22,24)

>  <InChI Key>
TUTPPMHJBJNTKW-UHFFFAOYSA-N

