
 CHEMBL282680

 41 45  0  0  0  0  0  0  0  0999 V2000
    1.7710   -0.6866   -0.7306 C   0  0  0  0  0
    1.9170    0.0608    0.4775 O   0  0  0  0  0
    2.7065    1.1652    0.2648 C   0  0  0  0  0
    4.0937    0.9816    0.2293 C   0  0  0  0  0
    4.9501    2.0649    0.1207 C   0  0  0  0  0
    4.4350    3.3612    0.0784 C   0  0  0  0  0
    3.0386    3.5864    0.1390 C   0  0  0  0  0
    2.1784    2.4724    0.2174 C   0  0  0  0  0
    0.8799    2.9677    0.2820 N   0  0  0  0  0
   -0.3648    2.3065    0.3430 C   0  0  0  0  0
   -0.4890    1.1212    0.0696 O   0  0  0  0  0
   -1.4968    3.1860    0.8551 C   0  0  0  0  0
   -1.5439    4.5904    0.2502 C   0  0  0  0  0
   -0.1794    5.2016    0.2734 C   0  0  0  0  0
    0.9283    4.3522    0.2545 C   0  0  0  0  0
    2.2389    4.7785    0.1579 C   0  0  0  0  0
    2.4889    6.1782    0.1032 C   0  0  0  0  0
    3.8817    6.7643    0.0227 C   0  0  0  0  0
    3.9017    8.2467   -0.3595 C   0  0  0  0  0
    2.9383    9.0046    0.4359 N   0  0  0  0  0
    1.5783    8.5682    0.1097 C   0  0  0  0  0
    1.3797    7.0668    0.1743 C   0  0  0  0  0
    0.0681    6.5715    0.2284 C   0  0  0  0  0
    2.6929   -1.2295   -0.9638 H   0  0  0  0  0
    1.4841   -0.0469   -1.5732 H   0  0  0  0  0
    0.9763   -1.4226   -0.5758 H   0  0  0  0  0
    4.5054   -0.0213    0.3098 H   0  0  0  0  0
    6.0253    1.9082    0.0952 H   0  0  0  0  0
    5.1264    4.1963    0.0249 H   0  0  0  0  0
   -1.3860    3.2482    1.9456 H   0  0  0  0  0
   -2.4465    2.6766    0.6559 H   0  0  0  0  0
   -2.2534    5.2075    0.8125 H   0  0  0  0  0
   -1.8859    4.5395   -0.7903 H   0  0  0  0  0
    4.4680    6.2179   -0.7232 H   0  0  0  0  0
    4.3619    6.6310    1.0001 H   0  0  0  0  0
    4.9077    8.6457   -0.1882 H   0  0  0  0  0
    3.6905    8.3711   -1.4295 H   0  0  0  0  0
    3.0232    9.9966    0.2227 H   0  0  0  0  0
    0.8963    9.0510    0.8192 H   0  0  0  0  0
    1.3093    8.9126   -0.8968 H   0  0  0  0  0
   -0.7703    7.2660    0.2327 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  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 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 23  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL282680

>  <PubChem CID>
11822925

>  <Formula>
C19H18N2O2

>  <Molecular Weight>
306.365000

>  <IUPAC Name>


>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC2=C1N3C(=O)CCC4=C3C2=C5CCNCC5=C4

>  <Isomeric SMILES>
COC1=CC=CC2=C1N3C(=O)CCC4=C3C2=C5CCNCC5=C4

>  <InChI Std. ID>
InChI=1S/C19H18N2O2/c1-23-15-4-2-3-14-17-13-7-8-20-10-12(13)9-11-5-6-16(22)21(18(11)17)19(14)15/h2-4,9,20H,5-8,10H2,1H3

>  <InChI Key>
ADNXJRWPXNPPPG-UHFFFAOYSA-N

