
 CHEMBL2059511

 66 69  0  0  0  0  0  0  0  0999 V2000
    1.2541    0.1073    0.6858 C   0  0  0  0  0
    2.6191   -0.0322    0.0487 C   0  0  0  0  0
    3.2432    1.0625   -0.6048 C   0  0  0  0  0
    4.4902    0.8795   -1.2015 C   0  0  0  0  0
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    4.4997   -1.4407   -0.5344 C   0  0  0  0  0
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    4.5814   -3.7493    0.2001 C   0  0  0  0  0
    3.3252   -3.5377    0.7428 C   0  0  0  0  0
    2.6596   -2.3570    0.6918 N   0  0  0  0  0
    3.2386   -1.2996    0.0791 C   0  0  0  0  0
    5.2970   -5.0801    0.3366 C   0  0  0  0  0
    4.9561   -5.9606   -0.8708 C   0  0  0  0  0
    6.7432   -4.8426    0.4998 N   0  0  0  0  0
    7.5411   -6.0573    0.6958 C   0  0  0  0  0
    9.0367   -5.7122    0.8441 C   0  0  0  0  0
    9.5864   -5.0277   -0.3147 N   0  0  0  0  0
    9.8407   -5.7034   -1.4848 C   0  0  0  0  0
    9.6888   -6.9148   -1.6169 O   0  0  0  0  0
   10.3464   -4.8374   -2.6051 C   0  0  0  0  0
    2.6174    2.3322   -0.6001 N   0  0  0  0  0
    3.0393    3.4855   -1.2384 C   0  0  0  0  0
    3.9156    3.5876   -2.0891 O   0  0  0  0  0
    2.3014    4.7108   -0.8361 C   0  0  0  0  0
    1.9247    4.9174    0.4965 C   0  0  0  0  0
    1.2461    6.0838    0.8606 C   0  0  0  0  0
    0.9464    7.0519   -0.0998 C   0  0  0  0  0
    1.3456    6.8497   -1.4246 C   0  0  0  0  0
    2.0270    5.6882   -1.7952 C   0  0  0  0  0
    0.3059    8.2390    0.1278 O   0  0  0  0  0
   -0.1774    8.5084    1.4467 C   0  0  0  0  0
    0.9215    9.0532    2.3151 C   0  0  0  0  0
    0.7932   10.4105    2.9607 C   0  0  0  0  0
    0.7107    9.1707    3.8045 C   0  0  0  0  0
    1.1759    1.0332    1.2629 H   0  0  0  0  0
    1.0394   -0.6948    1.3999 H   0  0  0  0  0
    0.4816    0.0909   -0.0882 H   0  0  0  0  0
    5.0213    1.6901   -1.6900 H   0  0  0  0  0
    6.0883   -0.4693   -1.6411 H   0  0  0  0  0
    6.1194   -2.7970   -0.9607 H   0  0  0  0  0
    2.7925   -4.3296    1.2644 H   0  0  0  0  0
    4.9289   -5.5722    1.2473 H   0  0  0  0  0
    5.3907   -5.5630   -1.7956 H   0  0  0  0  0
    3.8724   -6.0255   -1.0181 H   0  0  0  0  0
    5.3192   -6.9847   -0.7367 H   0  0  0  0  0
    6.8733   -4.2268    1.3028 H   0  0  0  0  0
    7.4258   -6.7359   -0.1540 H   0  0  0  0  0
    7.2087   -6.5812    1.5996 H   0  0  0  0  0
    9.6095   -6.6328    1.0062 H   0  0  0  0  0
    9.1967   -5.0570    1.7079 H   0  0  0  0  0
    9.4730   -4.0245   -0.3549 H   0  0  0  0  0
   10.5320   -3.8113   -2.2765 H   0  0  0  0  0
    9.6111   -4.8224   -3.4145 H   0  0  0  0  0
   11.2903   -5.2527   -2.9747 H   0  0  0  0  0
    1.7413    2.4010   -0.1017 H   0  0  0  0  0
    2.1859    4.1990    1.2698 H   0  0  0  0  0
    0.9897    6.2131    1.9068 H   0  0  0  0  0
    1.1326    7.6092   -2.1739 H   0  0  0  0  0
    2.3447    5.5506   -2.8261 H   0  0  0  0  0
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   -0.9697    9.2580    1.3362 H   0  0  0  0  0
    1.9091    8.7549    1.9812 H   0  0  0  0  0
   -0.1151   10.9818    2.8058 H   0  0  0  0  0
    1.6881   11.0187    3.0325 H   0  0  0  0  0
    1.5495    8.9415    4.4521 H   0  0  0  0  0
   -0.2543    8.9037    4.2192 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 12 14  1  0  0  0
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 15 16  1  0  0  0
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 24 29  1  0  0  0
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 26 27  2  0  0  0
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 27 28  1  0  0  0
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 30 31  1  0  0  0
 31 32  1  0  0  0
 31 60  1  0  0  0
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 32 34  1  0  0  0
 32 33  1  0  0  0
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 33 64  1  0  0  0
 34 65  1  0  0  0
 34 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2059511

>  <PubChem CID>
57522468

>  <Formula>
C27H32N4O3

>  <Molecular Weight>
460.578000

>  <IUPAC Name>
N-[3-[1-(2-acetamidoethylamino)ethyl]-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)benzamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC2=CC(=CN=C12)C(C)NCCNC(=O)C)NC(=O)C3=CC=C(C=C3)OCC4CC4

>  <Isomeric SMILES>
CC1=C(C=CC2=CC(=CN=C12)C(C)NCCNC(=O)C)NC(=O)C3=CC=C(C=C3)OCC4CC4

>  <InChI Std. ID>
InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)

>  <InChI Key>
HRYQXLHGNOJEHH-UHFFFAOYSA-N

