
 CHEMBL436481

 72 76  0  0  0  0  0  0  0  0999 V2000
    1.3496    0.4206   -0.3724 C   0  0  0  0  0
    2.7354   -0.1519   -0.5037 C   0  0  0  0  0
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    5.6030   -4.2842   -0.4019 C   0  0  0  0  0
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    3.2835   -5.7940   -0.6330 O   0  0  0  0  0
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    4.6776    2.8848   -1.5266 C   0  0  0  0  0
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    4.8568   10.9028   -1.7241 C   0  0  0  0  0
    3.7953   11.4703   -1.0279 C   0  0  0  0  0
    2.8453   10.6478   -0.4311 C   0  0  0  0  0
    2.9624    9.2565   -0.5232 C   0  0  0  0  0
    1.2763    1.0379    0.5283 H   0  0  0  0  0
    0.5923   -0.3669   -0.3104 H   0  0  0  0  0
    1.1024    1.0250   -1.2531 H   0  0  0  0  0
    5.9582    0.5957   -1.1179 H   0  0  0  0  0
    2.0434   -2.0973    0.0201 H   0  0  0  0  0
    7.6831   -3.7225   -0.0913 H   0  0  0  0  0
    6.5538   -2.9695    1.0069 H   0  0  0  0  0
    7.3271   -0.6980    0.8261 H   0  0  0  0  0
    7.9180   -0.1090   -0.7381 H   0  0  0  0  0
    8.6600   -1.5098    0.0113 H   0  0  0  0  0
    9.1324   -2.8660   -1.8042 H   0  0  0  0  0
    9.9376   -3.0644   -4.1085 H   0  0  0  0  0
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    6.1685   -1.6425   -5.5821 H   0  0  0  0  0
    5.3328   -1.4288   -3.3115 H   0  0  0  0  0
    5.7666   -4.4605   -2.5913 H   0  0  0  0  0
    5.4491   -5.9866   -1.7988 H   0  0  0  0  0
    7.0589   -5.2965   -1.7034 H   0  0  0  0  0
    5.2235   -4.8636    1.6876 H   0  0  0  0  0
    6.6968   -5.5792    1.0072 H   0  0  0  0  0
    5.1400   -6.2364    0.5790 H   0  0  0  0  0
    1.9337   -3.2628   -1.9997 H   0  0  0  0  0
    1.1648   -3.8883   -0.4771 H   0  0  0  0  0
    1.3891   -4.9195   -1.8819 H   0  0  0  0  0
    2.8374    2.4512   -0.7017 H   0  0  0  0  0
    6.5582    4.7451   -1.3262 H   0  0  0  0  0
    6.3278    7.1650   -1.1718 H   0  0  0  0  0
    2.0390    6.7593   -1.4774 H   0  0  0  0  0
    2.2699    4.3349   -1.5994 H   0  0  0  0  0
    5.7992    9.1050   -2.3916 H   0  0  0  0  0
    5.6035   11.5391   -2.1920 H   0  0  0  0  0
    3.7094   12.5508   -0.9497 H   0  0  0  0  0
    2.0142   11.0861    0.1150 H   0  0  0  0  0
    2.2153    8.6459   -0.0214 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL436481

>  <PubChem CID>
11283470

>  <Formula>
C34H34N2O2

>  <Molecular Weight>
502.658000

>  <IUPAC Name>
N-(1-acetyl-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-6-yl)-4-phenylbenzamide

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C=C2C(=C1)N(C(CC2(C)C3=CC=CC=C3)(C)C)C(=O)C)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=C(C=C2C(=C1)N(C(CC2(C)C3=CC=CC=C3)(C)C)C(=O)C)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

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

>  <InChI Key>
BCPZDPRXWQWTFG-UHFFFAOYSA-N

