
 CHEMBL365545

 69 73  0  0  0  0  0  0  0  0999 V2000
    1.5676   -0.7093    0.0482 C   0  0  0  0  0
    1.0296    0.7040    0.0452 C   0  0  0  0  0
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    4.6443    5.1849   -0.4199 C   0  0  0  0  0
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    5.5386    3.5521    3.7656 C   0  0  0  0  0
    4.9880    4.5999    4.4941 C   0  0  0  0  0
    4.0584    5.4373    3.8918 C   0  0  0  0  0
    3.6941    5.2346    2.5569 C   0  0  0  0  0
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    2.5978   -0.7695    0.4005 H   0  0  0  0  0
    6.3559    3.1145   -0.4285 H   0  0  0  0  0
    5.1619   -0.4547   -2.4686 H   0  0  0  0  0
    2.8819   -0.0052   -1.9353 H   0  0  0  0  0
    7.9613    1.7149   -1.2476 H   0  0  0  0  0
    9.6222    1.8953   -2.7264 H   0  0  0  0  0
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    9.4784   -2.2745   -1.6515 H   0  0  0  0  0
   10.8316   -3.3977   -0.0436 H   0  0  0  0  0
   12.0249   -5.4860    0.4307 H   0  0  0  0  0
   14.0983   -6.0604   -0.8040 H   0  0  0  0  0
   14.9527   -4.5244   -2.5545 H   0  0  0  0  0
   13.7532   -2.4526   -3.0839 H   0  0  0  0  0
    2.0301    5.2268    0.3613 H   0  0  0  0  0
    2.3177    4.4099   -1.1458 H   0  0  0  0  0
    2.0351    2.6807    2.3851 H   0  0  0  0  0
    0.3181    2.4737    2.1219 H   0  0  0  0  0
    0.9674    4.0995    2.2521 H   0  0  0  0  0
    0.1207    3.4104   -1.4364 H   0  0  0  0  0
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   -0.7940    2.9876    0.0156 H   0  0  0  0  0
    4.5553    5.1142   -1.5111 H   0  0  0  0  0
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    5.6177    2.4992    1.9217 H   0  0  0  0  0
    6.2752    2.8999    4.2282 H   0  0  0  0  0
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    3.6224    6.2592    4.4543 H   0  0  0  0  0
    2.9895    5.9396    2.1228 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 39  1  0  0  0
  1 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL365545

>  <PubChem CID>
11283209

>  <Formula>
C33H32N2O2

>  <Molecular Weight>
488.631000

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

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C33H32N2O2/c1-23(36)35-30-19-18-28(21-29(30)33(4,22-32(35,2)3)27-16-9-6-10-17-27)34-31(37)26-15-11-14-25(20-26)24-12-7-5-8-13-24/h5-21H,22H2,1-4H3,(H,34,37)

>  <InChI Key>
RLYOMBYEKPRQCP-UHFFFAOYSA-N

