
 CHEMBL179505

 65 67  0  0  0  0  0  0  0  0999 V2000
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    0.2413    3.7131    0.2371 C   0  0  0  0  0
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    6.0799    1.9328    3.2886 C   0  0  0  0  0
    6.3112    3.3028    3.2726 C   0  0  0  0  0
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   -0.8442    2.5603   -1.2178 H   0  0  0  0  0
   -0.8960    1.9248    0.4271 H   0  0  0  0  0
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    5.5829    2.9244   -2.0136 H   0  0  0  0  0
    1.9568    2.1200   -4.1461 H   0  0  0  0  0
    0.7032    3.2905   -2.4752 H   0  0  0  0  0
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    4.9908   -0.6396   -6.4904 H   0  0  0  0  0
    5.9676   -0.4695   -5.0475 H   0  0  0  0  0
    6.9248   -0.3990   -8.5479 H   0  0  0  0  0
    6.0286    0.5440   -9.7625 H   0  0  0  0  0
    5.1658   -0.4409   -8.5874 H   0  0  0  0  0
    4.6129    2.9700   -7.1276 H   0  0  0  0  0
    3.8159    1.4940   -7.6656 H   0  0  0  0  0
    4.5249    2.5809   -8.8597 H   0  0  0  0  0
    7.1574    3.2345   -7.4625 H   0  0  0  0  0
    7.0272    2.7360   -9.1632 H   0  0  0  0  0
    8.1084    1.8774   -8.0447 H   0  0  0  0  0
    4.0708    6.0922    1.3501 H   0  0  0  0  0
    3.4677    6.2488   -0.2804 H   0  0  0  0  0
    2.5906    3.3260    2.2736 H   0  0  0  0  0
    1.2541    4.3053    2.8226 H   0  0  0  0  0
    2.8942    4.8947    3.0539 H   0  0  0  0  0
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    6.5800    4.4778   -0.8550 H   0  0  0  0  0
    6.1808    5.9032    0.0901 H   0  0  0  0  0
    4.2922    1.6183    0.4307 H   0  0  0  0  0
    5.1693    0.2739    2.2680 H   0  0  0  0  0
    6.4578    1.3252    4.1064 H   0  0  0  0  0
    6.8734    3.7694    4.0774 H   0  0  0  0  0
    6.0157    5.1518    2.2531 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 22  1  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
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 31 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL179505

>  <PubChem CID>
11373573

>  <Formula>
C26H34N2O3

>  <Molecular Weight>
422.569000

>  <IUPAC Name>
N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1C2=C(C=C(C=C2)NC(=O)COC(C)(C)C)C(CC1(C)C)(C)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)N1C2=C(C=C(C=C2)NC(=O)COC(C)(C)C)C(CC1(C)C)(C)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C26H34N2O3/c1-18(29)28-22-14-13-20(27-23(30)16-31-24(2,3)4)15-21(22)26(7,17-25(28,5)6)19-11-9-8-10-12-19/h8-15H,16-17H2,1-7H3,(H,27,30)

>  <InChI Key>
FXRVLZMVHRWGFU-UHFFFAOYSA-N

