
 CHEMBL1818811

 63 67  0  0  0  0  0  0  0  0999 V2000
    4.9932   -2.1078   -0.2267 C   0  0  0  0  0
    6.3034   -1.5678   -0.1102 O   0  0  0  0  0
    6.5011   -0.3159   -0.6213 C   0  0  0  0  0
    5.5621    0.4507   -1.3046 C   0  0  0  0  0
    5.9015    1.7261   -1.7806 C   0  0  0  0  0
    7.1789    2.2778   -1.5774 C   0  0  0  0  0
    8.1096    1.4832   -0.8855 C   0  0  0  0  0
    7.7778    0.2044   -0.4221 C   0  0  0  0  0
    7.5317    3.6275   -2.0810 C   0  0  0  0  0
    6.5867    4.6716   -2.1382 C   0  0  0  0  0
    6.9106    5.9416   -2.6440 C   0  0  0  0  0
    8.2075    6.2051   -3.0868 C   0  0  0  0  0
    9.1616    5.1816   -3.0300 C   0  0  0  0  0
    8.8268    3.9153   -2.5409 C   0  0  0  0  0
    8.6307    7.5056   -3.6850 C   0  0  0  0  0
    9.5968    7.4792   -4.4392 O   0  0  0  0  0
    7.9109    8.6333   -3.3215 N   0  0  0  0  0
    8.1491    9.9578   -3.7645 C   0  0  0  0  0
    7.3301   10.9790   -3.2591 C   0  0  0  0  0
    7.5207   12.3187   -3.6491 C   0  0  0  0  0
    8.5608   12.6424   -4.5326 C   0  0  0  0  0
    9.3707   11.6284   -5.0393 C   0  0  0  0  0
    9.1595   10.2992   -4.6650 C   0  0  0  0  0
    8.8148   14.0318   -4.9125 C   0  0  0  0  0
    7.9286   15.0054   -4.6387 C   0  0  0  0  0
    6.6384   14.6992   -3.9181 C   0  0  0  0  0
    6.6842   13.4253   -3.0564 C   0  0  0  0  0
    8.1551   16.4285   -5.0896 C   0  0  0  0  0
    9.3443   17.0395   -4.4923 N   0  0  0  0  0
    9.5970   18.3776   -5.0266 C   0  0  0  0  0
   10.6166   18.9321   -4.0495 C   0  0  0  0  0
   10.2239   18.3274   -2.7092 C   0  0  0  0  0
    9.2449   17.2059   -3.0403 C   0  0  0  0  0
    4.9925   -3.0912    0.2531 H   0  0  0  0  0
    4.7173   -2.2493   -1.2769 H   0  0  0  0  0
    4.2604   -1.4825    0.2943 H   0  0  0  0  0
    4.5573    0.0890   -1.4947 H   0  0  0  0  0
    5.1447    2.2784   -2.3335 H   0  0  0  0  0
    9.1141    1.8499   -0.6855 H   0  0  0  0  0
    8.5244   -0.3865    0.1035 H   0  0  0  0  0
    5.5686    4.5063   -1.7903 H   0  0  0  0  0
    6.1231    6.6851   -2.7118 H   0  0  0  0  0
   10.1760    5.3585   -3.3855 H   0  0  0  0  0
    9.5984    3.1479   -2.5505 H   0  0  0  0  0
    7.1835    8.5283   -2.6294 H   0  0  0  0  0
    6.5400   10.7467   -2.5499 H   0  0  0  0  0
   10.1790   11.8560   -5.7300 H   0  0  0  0  0
    9.8228    9.5577   -5.0962 H   0  0  0  0  0
    9.7355   14.2563   -5.4443 H   0  0  0  0  0
    6.3566   15.5373   -3.2691 H   0  0  0  0  0
    5.8463   14.6037   -4.6720 H   0  0  0  0  0
    7.1044   13.6723   -2.0729 H   0  0  0  0  0
    5.6570   13.0771   -2.8930 H   0  0  0  0  0
    7.2619   17.0356   -4.8926 H   0  0  0  0  0
    8.2697   16.4131   -6.1824 H   0  0  0  0  0
    8.6921   18.9982   -5.0183 H   0  0  0  0  0
    9.9948   18.3468   -6.0460 H   0  0  0  0  0
   11.6270   18.6033   -4.3220 H   0  0  0  0  0
   10.6142   20.0261   -4.0243 H   0  0  0  0  0
   11.1085   17.9531   -2.1830 H   0  0  0  0  0
    9.7433   19.0765   -2.0702 H   0  0  0  0  0
    9.5102   16.2852   -2.5100 H   0  0  0  0  0
    8.2358   17.5038   -2.7297 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 27  1  0  0  0
 20 21  2  0  0  0
 21 24  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 29 33  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 30 57  1  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 31 59  1  0  0  0
 32 33  1  0  0  0
 32 60  1  0  0  0
 32 61  1  0  0  0
 33 62  1  0  0  0
 33 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1818811

>  <PubChem CID>
21939950

>  <Formula>
C29H30N2O2

>  <Molecular Weight>
438.571000

>  <IUPAC Name>
4-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]benzamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(CC4)CN5CCCC5

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(CC4)CN5CCCC5

>  <InChI Std. ID>
InChI=1S/C29H30N2O2/c1-33-28-14-11-23(12-15-28)22-6-8-24(9-7-22)29(32)30-27-13-10-25-18-21(4-5-26(25)19-27)20-31-16-2-3-17-31/h6-15,18-19H,2-5,16-17,20H2,1H3,(H,30,32)

>  <InChI Key>
ANNTXYLVBKCZHB-UHFFFAOYSA-N

