
 CHEMBL194408

 57 59  0  0  0  0  0  0  0  0999 V2000
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    3.2048    4.6506    0.8539 N   0  0  0  0  0
    3.9418    5.8071    1.0580 C   0  0  0  0  0
    5.1192    5.8715    1.4012 O   0  0  0  0  0
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    1.1949    8.2481   -2.0020 C   0  0  0  0  0
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    1.0681   10.5422   -0.4333 C   0  0  0  0  0
    1.8347    9.4500   -0.0096 C   0  0  0  0  0
   -0.5954   11.8157   -2.1314 Cl  0  0  0  0  0
    1.2374    6.8471   -3.0167 Cl  0  0  0  0  0
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    2.4729   -4.8337   -2.5372 C   0  0  0  0  0
    4.5681   -4.8583   -3.6939 C   0  0  0  0  0
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    0.3038    0.5727    0.9820 H   0  0  0  0  0
    2.0782   -2.2859    0.3388 H   0  0  0  0  0
    1.7283    2.5471    0.4381 H   0  0  0  0  0
    5.7165    3.7062    1.5591 H   0  0  0  0  0
    6.3665    1.3677    1.6253 H   0  0  0  0  0
    2.2548    4.7765    0.5276 H   0  0  0  0  0
    3.7915    7.9247    1.0892 H   0  0  0  0  0
    2.2998    7.0679    1.6062 H   0  0  0  0  0
   -0.1203    9.2913   -3.3622 H   0  0  0  0  0
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    6.2947   -2.5985    2.0999 H   0  0  0  0  0
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    6.3727   -4.1244    1.2357 H   0  0  0  0  0
    2.9907   -4.1418    0.1286 H   0  0  0  0  0
    4.4606   -5.0341    0.3455 H   0  0  0  0  0
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    4.2041   -5.6544   -4.3532 H   0  0  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL194408

>  <PubChem CID>
11512135

>  <Formula>
C23H26Cl2N4O2

>  <Molecular Weight>
461.387000

>  <IUPAC Name>
2-(2,4-dichlorophenoxy)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)N(C)CCN(C)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)N(C)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C23H26Cl2N4O2/c1-15-11-22(29(4)10-9-28(2)3)27-20-7-6-17(13-18(15)20)26-23(30)14-31-21-8-5-16(24)12-19(21)25/h5-8,11-13H,9-10,14H2,1-4H3,(H,26,30)

>  <InChI Key>
FWSBSBDRADXORX-UHFFFAOYSA-N

