
 CHEMBL195347

 72 76  0  0  0  0  0  0  0  0999 V2000
    1.7821   -0.7934    2.1911 C   0  0  0  0  0
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   10.7405    4.7474    1.6443 O   0  0  0  0  0
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    6.8439   -2.6637    0.7444 C   0  0  0  0  0
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    4.1184    0.3948    2.9765 H   0  0  0  0  0
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    7.7964   -1.2504   -2.3121 H   0  0  0  0  0
    7.0018    2.6623   -0.5430 H   0  0  0  0  0
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    7.9339    4.5710    0.1397 H   0  0  0  0  0
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   10.7172    9.4718    2.1170 H   0  0  0  0  0
    7.1368    8.8145   -0.1951 H   0  0  0  0  0
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    6.0740   13.0930    1.0639 H   0  0  0  0  0
    7.9638   14.6771    0.7931 H   0  0  0  0  0
   10.2804   13.8093    0.6089 H   0  0  0  0  0
   10.7127   11.3947    0.6637 H   0  0  0  0  0
   11.5480   -1.1128   -0.1950 H   0  0  0  0  0
   11.9844   -2.7694    0.1927 H   0  0  0  0  0
   11.8350   -1.6045    1.5157 H   0  0  0  0  0
    6.7192   -1.8682    1.4820 H   0  0  0  0  0
    7.2481   -3.5171    1.2997 H   0  0  0  0  0
    5.8596   -2.9677    0.3736 H   0  0  0  0  0
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    7.2496    1.0556   -2.8840 H   0  0  0  0  0
    5.8216    1.7758   -2.1217 H   0  0  0  0  0
    5.6806    0.2658   -3.0050 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL195347

>  <PubChem CID>
11375523

>  <Formula>
C34H34N2O2

>  <Molecular Weight>
502.658000

>  <IUPAC Name>
N-[1-acetyl-2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-6-yl]-4-phenylbenzamide

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2(CC(N(C3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)C)(C)C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2(CC(N(C3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)C)(C)C)C

>  <InChI Std. ID>
InChI=1S/C34H34N2O2/c1-23-11-17-28(18-12-23)34(5)22-33(3,4)36(24(2)37)31-20-19-29(21-30(31)34)35-32(38)27-15-13-26(14-16-27)25-9-7-6-8-10-25/h6-21H,22H2,1-5H3,(H,35,38)

>  <InChI Key>
QMOJIASAZQBYMM-UHFFFAOYSA-N

