
 CHEMBL10079

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.0353    4.5495    1.3725 C   0  0  0  0  0
    3.5314    4.3954    1.1343 C   0  0  0  0  0
    3.8680    3.6072   -0.1461 C   0  0  0  0  0
    3.3541    4.2699   -1.4152 C   0  0  0  0  0
    2.4653    3.5745   -2.2510 C   0  0  0  0  0
    1.9756    4.1619   -3.4193 C   0  0  0  0  0
    2.3743    5.4484   -3.7739 C   0  0  0  0  0
    3.2612    6.1496   -2.9603 C   0  0  0  0  0
    3.7471    5.5666   -1.7877 C   0  0  0  0  0
    5.3104    3.4305   -0.2525 N   0  0  0  0  0
    5.9708    2.3370    0.2694 C   0  0  0  0  0
    5.4021    1.4058    0.8223 O   0  0  0  0  0
    7.4566    2.3681    0.1108 C   0  0  0  0  0
    7.9646    2.8595   -1.1006 C   0  0  0  0  0
    9.3339    2.9687   -1.2752 C   0  0  0  0  0
   10.1802    2.5640   -0.2978 N   0  0  0  0  0
    9.7063    2.0494    0.8492 C   0  0  0  0  0
   10.6303    1.6330    1.7988 C   0  0  0  0  0
   10.2412    1.0936    3.0256 C   0  0  0  0  0
    8.8926    0.9723    3.3205 C   0  0  0  0  0
    7.9457    1.3887    2.3850 C   0  0  0  0  0
    8.3330    1.9250    1.1281 C   0  0  0  0  0
    9.9750    3.5370   -2.4924 C   0  0  0  0  0
   11.3800    3.5760   -2.6119 C   0  0  0  0  0
   12.0158    4.1162   -3.7354 C   0  0  0  0  0
   11.2604    4.6363   -4.7789 C   0  0  0  0  0
    9.8732    4.6158   -4.6964 C   0  0  0  0  0
    9.2412    4.0749   -3.5691 C   0  0  0  0  0
    1.8589    5.0628    2.3232 H   0  0  0  0  0
    1.5422    3.5736    1.4170 H   0  0  0  0  0
    1.5608    5.1419    0.5843 H   0  0  0  0  0
    3.9669    3.8777    1.9987 H   0  0  0  0  0
    3.9959    5.3891    1.1127 H   0  0  0  0  0
    3.4167    2.6109   -0.0550 H   0  0  0  0  0
    2.1428    2.5671   -1.9939 H   0  0  0  0  0
    1.2817    3.6141   -4.0520 H   0  0  0  0  0
    1.9919    5.9046   -4.6833 H   0  0  0  0  0
    3.5713    7.1540   -3.2371 H   0  0  0  0  0
    4.4314    6.1380   -1.1656 H   0  0  0  0  0
    5.8441    4.2272   -0.5686 H   0  0  0  0  0
    7.2790    3.1362   -1.8920 H   0  0  0  0  0
   11.6908    1.7295    1.5751 H   0  0  0  0  0
   10.9925    0.7718    3.7419 H   0  0  0  0  0
    8.5728    0.5521    4.2706 H   0  0  0  0  0
    6.8947    1.2781    2.6443 H   0  0  0  0  0
   12.0044    3.1793   -1.8118 H   0  0  0  0  0
   13.1013    4.1280   -3.7878 H   0  0  0  0  0
   11.7508    5.0561   -5.6527 H   0  0  0  0  0
    9.2757    5.0216   -5.5091 H   0  0  0  0  0
    8.1554    4.0931   -3.5634 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 23  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL10079

>  <PubChem CID>
1760287

>  <Formula>
C25H22N2O

>  <Molecular Weight>
366.464000

>  <IUPAC Name>
2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

>  <Isomeric SMILES>
CC[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m1/s1

>  <InChI Key>
MXNGYQJJYRVGGJ-JOCHJYFZSA-N

