
 CHEMBL426824

 73 77  0  0  0  0  0  0  0  0999 V2000
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    6.4023    5.2035    2.5266 C   0  0  0  0  0
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    4.5463    6.1374    1.2800 O   0  0  0  0  0
    4.9952    7.4575    1.5701 C   0  0  0  0  0
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    1.2346   -0.9296   -1.7337 H   0  0  0  0  0
    1.2059   -1.7675   -0.2008 H   0  0  0  0  0
    6.3668    3.1998   -2.0266 H   0  0  0  0  0
    4.7448   -0.2596   -3.9431 H   0  0  0  0  0
    2.8059   -0.0937   -2.6374 H   0  0  0  0  0
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    8.0296   -0.3801   -7.1635 H   0  0  0  0  0
   10.1750   -0.1587   -8.3068 H   0  0  0  0  0
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    9.6611    1.6317   -3.7106 H   0  0  0  0  0
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   15.8757    1.4261   -9.2908 H   0  0  0  0  0
   15.8374    0.9996   -6.8475 H   0  0  0  0  0
   13.7051    0.7458   -5.6612 H   0  0  0  0  0
    2.6659    4.7553    0.6892 H   0  0  0  0  0
    2.2199    4.1941   -0.9003 H   0  0  0  0  0
    3.7574    1.8494    1.8905 H   0  0  0  0  0
    2.1443    1.6096    2.5152 H   0  0  0  0  0
    2.8552    3.2162    2.5845 H   0  0  0  0  0
    0.1704    3.0707   -0.2066 H   0  0  0  0  0
    0.5941    4.0272    1.2249 H   0  0  0  0  0
    0.1335    2.3635    1.4147 H   0  0  0  0  0
    4.0212    4.8783   -2.3762 H   0  0  0  0  0
    5.5745    5.2279   -1.6015 H   0  0  0  0  0
    4.0945    5.9753   -1.0188 H   0  0  0  0  0
    6.0959    1.9160    0.5291 H   0  0  0  0  0
    7.7902    2.1239    2.2556 H   0  0  0  0  0
    8.0134    4.2177    3.5614 H   0  0  0  0  0
    6.5003    6.0893    3.1449 H   0  0  0  0  0
    5.9916    7.6437    1.1549 H   0  0  0  0  0
    4.9709    7.6502    2.6465 H   0  0  0  0  0
    4.3002    8.1553    1.0931 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL426824

>  <PubChem CID>
11352881

>  <Formula>
C34H34N2O3

>  <Molecular Weight>
518.657000

>  <IUPAC Name>
N-[1-acetyl-4-(2-methoxyphenyl)-2,2,4-trimethyl-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=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(CC1(C)C)(C)C5=CC=CC=C5OC

>  <Isomeric SMILES>
CC(=O)N1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(CC1(C)C)(C)C5=CC=CC=C5OC

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

>  <InChI Key>
SJYQFXHAAASNOU-UHFFFAOYSA-N

