
 CHEMBL192868

 73 77  0  0  0  0  0  0  0  0999 V2000
    1.8408    0.3513    2.4421 C   0  0  0  0  0
    2.7885    0.5688    1.2909 C   0  0  0  0  0
    3.5312   -0.3887    1.0306 O   0  0  0  0  0
    2.8748    1.8268    0.6491 N   0  0  0  0  0
    3.7709    1.8849   -0.4963 C   0  0  0  0  0
    3.8093    0.8374   -1.4472 C   0  0  0  0  0
    4.9039    0.7021   -2.3139 C   0  0  0  0  0
    5.9657    1.5997   -2.2545 C   0  0  0  0  0
    5.8253    2.7356   -1.4554 C   0  0  0  0  0
    4.6974    2.9330   -0.6255 C   0  0  0  0  0
    4.4858    4.2725    0.0783 C   0  0  0  0  0
    2.9889    4.3462    0.4494 C   0  0  0  0  0
    2.4311    3.1322    1.2454 C   0  0  0  0  0
    2.8461    3.2655    2.7264 C   0  0  0  0  0
    0.8916    3.3015    1.1306 C   0  0  0  0  0
    4.6958    5.4028   -0.9860 C   0  0  0  0  0
    5.4221    4.5621    1.2646 C   0  0  0  0  0
    5.4054    5.8277    1.8878 C   0  0  0  0  0
    6.2919    6.1470    2.9189 C   0  0  0  0  0
    7.2119    5.2041    3.3610 C   0  0  0  0  0
    7.2320    3.9386    2.7834 C   0  0  0  0  0
    6.3435    3.6185    1.7516 C   0  0  0  0  0
    7.1893    1.4460   -2.9489 N   0  0  0  0  0
    7.5552    0.3830   -3.7551 C   0  0  0  0  0
    6.8342   -0.5515   -4.0823 O   0  0  0  0  0
    8.9707    0.3648   -4.2445 C   0  0  0  0  0
    9.7641    1.5077   -4.3630 C   0  0  0  0  0
   11.0785    1.4065   -4.8459 C   0  0  0  0  0
   11.6304    0.1737   -5.2444 C   0  0  0  0  0
   10.8126   -0.9616   -5.1229 C   0  0  0  0  0
    9.5071   -0.8707   -4.6287 C   0  0  0  0  0
   13.0020    0.0733   -5.7970 C   0  0  0  0  0
   13.5294    1.0717   -6.6366 C   0  0  0  0  0
   14.8138    0.9657   -7.1812 C   0  0  0  0  0
   15.5992   -0.1486   -6.9051 C   0  0  0  0  0
   15.1047   -1.1511   -6.0778 C   0  0  0  0  0
   13.8241   -1.0368   -5.5262 C   0  0  0  0  0
    2.6798    0.0513   -1.5350 O   0  0  0  0  0
    2.8509   -1.2368   -2.1145 C   0  0  0  0  0
    2.3839    0.4846    3.3818 H   0  0  0  0  0
    1.4816   -0.6832    2.4021 H   0  0  0  0  0
    0.9580    0.9727    2.4276 H   0  0  0  0  0
    4.9274   -0.1174   -3.0186 H   0  0  0  0  0
    6.6109    3.4880   -1.4623 H   0  0  0  0  0
    2.7625    5.2796    0.9831 H   0  0  0  0  0
    2.4168    4.4161   -0.4907 H   0  0  0  0  0
    3.8353    2.8367    2.9109 H   0  0  0  0  0
    2.1463    2.7583    3.3966 H   0  0  0  0  0
    2.8587    4.3114    3.0516 H   0  0  0  0  0
    0.5601    3.1666    0.0942 H   0  0  0  0  0
    0.5865    4.3045    1.4533 H   0  0  0  0  0
    0.3132    2.6074    1.7362 H   0  0  0  0  0
    4.1688    5.1754   -1.9221 H   0  0  0  0  0
    5.7541    5.5512   -1.2308 H   0  0  0  0  0
    4.3126    6.3696   -0.6395 H   0  0  0  0  0
    4.7043    6.5958    1.5686 H   0  0  0  0  0
    6.2664    7.1357    3.3697 H   0  0  0  0  0
    7.9091    5.4528    4.1563 H   0  0  0  0  0
    7.9432    3.1940    3.1329 H   0  0  0  0  0
    6.3911    2.6119    1.3412 H   0  0  0  0  0
    7.8989    2.1250   -2.7199 H   0  0  0  0  0
    9.3846    2.4946   -4.1198 H   0  0  0  0  0
   11.6725    2.3158   -4.9117 H   0  0  0  0  0
   11.1725   -1.9400   -5.4353 H   0  0  0  0  0
    8.9056   -1.7757   -4.5557 H   0  0  0  0  0
   12.9339    1.9437   -6.8980 H   0  0  0  0  0
   15.1939    1.7511   -7.8292 H   0  0  0  0  0
   16.5930   -0.2370   -7.3360 H   0  0  0  0  0
   15.7122   -2.0259   -5.8601 H   0  0  0  0  0
   13.4762   -1.8345   -4.8728 H   0  0  0  0  0
    2.9604   -1.1642   -3.2014 H   0  0  0  0  0
    1.9427   -1.8137   -1.9148 H   0  0  0  0  0
    3.6936   -1.7728   -1.6656 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 11 16  1  0  0  0
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 12 45  1  0  0  0
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 13 15  1  0  0  0
 13 14  1  0  0  0
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 15 52  1  0  0  0
 16 53  1  0  0  0
 16 54  1  0  0  0
 16 55  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
 20 58  1  0  0  0
 21 22  2  0  0  0
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 22 60  1  0  0  0
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 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 62  1  0  0  0
 28 29  2  0  0  0
 28 63  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
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 31 65  1  0  0  0
 32 33  2  0  0  0
 32 37  1  0  0  0
 33 34  1  0  0  0
 33 66  1  0  0  0
 34 35  2  0  0  0
 34 67  1  0  0  0
 35 36  1  0  0  0
 35 68  1  0  0  0
 36 37  2  0  0  0
 36 69  1  0  0  0
 37 70  1  0  0  0
 38 39  1  0  0  0
 39 71  1  0  0  0
 39 72  1  0  0  0
 39 73  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL192868

>  <PubChem CID>
11203161

>  <Formula>
C34H34N2O3

>  <Molecular Weight>
518.657000

>  <IUPAC Name>
N-(1-acetyl-8-methoxy-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-phenylbenzamide

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1C2=C(C=C(C=C2C(CC1(C)C)(C)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)OC

>  <Isomeric SMILES>
CC(=O)N1C2=C(C=C(C=C2C(CC1(C)C)(C)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C34H34N2O3/c1-23(37)36-31-29(34(4,22-33(36,2)3)27-14-10-7-11-15-27)20-28(21-30(31)39-5)35-32(38)26-18-16-25(17-19-26)24-12-8-6-9-13-24/h6-21H,22H2,1-5H3,(H,35,38)

>  <InChI Key>
MZFKNJKCVTUDFM-UHFFFAOYSA-N

