
 CHEMBL403844

 39 43  0  0  0  0  0  0  0  0999 V2000
    0.9154    0.2900   -0.4339 C   0  0  0  0  0
    2.4049    0.1691    0.0103 C   0  0  0  0  0
    3.0965    1.5310   -0.5255 C   0  0  0  0  0
    3.9259    1.4365   -1.7890 C   0  0  0  0  0
    4.5331    2.5060   -2.4450 C   0  0  0  0  0
    5.3895    2.2735   -3.5490 C   0  0  0  0  0
    5.6675    0.9744   -4.0176 C   0  0  0  0  0
    5.0621   -0.0812   -3.3705 C   0  0  0  0  0
    4.2063    0.1875   -2.2981 C   0  0  0  0  0
    3.7475   -1.0250   -1.7345 C   0  0  0  0  0
    4.3039   -2.1160   -2.4076 C   0  0  0  0  0
    5.1780   -1.5938   -3.5443 C   0  0  0  0  0
    4.0378   -3.3868   -1.9449 C   0  0  0  0  0
    3.2493   -3.5161   -0.7821 C   0  0  0  0  0
    2.7255   -2.3836   -0.1038 C   0  0  0  0  0
    2.9466   -1.1078   -0.6233 C   0  0  0  0  0
    2.0216   -2.5181    1.2233 C   0  0  0  0  0
    1.7367   -1.1774    1.9549 C   0  0  0  0  0
    2.4682    0.0338    1.5029 N   0  0  0  0  0
    3.8468   -0.0201    2.0171 C   0  0  0  0  0
    0.8390    0.4932   -1.5116 H   0  0  0  0  0
    0.4128    1.1113    0.0933 H   0  0  0  0  0
    0.3301   -0.6218   -0.2596 H   0  0  0  0  0
    2.3199    2.2958   -0.6816 H   0  0  0  0  0
    3.7540    1.9544    0.2383 H   0  0  0  0  0
    4.3748    3.5239   -2.0966 H   0  0  0  0  0
    5.8646    3.1245   -4.0345 H   0  0  0  0  0
    6.3509    0.8173   -4.8443 H   0  0  0  0  0
    6.2152   -1.9148   -3.4040 H   0  0  0  0  0
    4.7827   -1.9057   -4.5154 H   0  0  0  0  0
    4.4534   -4.2636   -2.4299 H   0  0  0  0  0
    3.0714   -4.5107   -0.3772 H   0  0  0  0  0
    2.6503   -3.1344    1.8747 H   0  0  0  0  0
    1.0757   -3.0479    1.0692 H   0  0  0  0  0
    1.8906   -1.3276    3.0345 H   0  0  0  0  0
    0.6596   -0.9685    1.8898 H   0  0  0  0  0
    4.4023    0.9009    1.8171 H   0  0  0  0  0
    4.4325   -0.8584    1.6212 H   0  0  0  0  0
    3.8392   -0.1138    3.1115 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL403844

>  <PubChem CID>
44448044

>  <Formula>
C19H19N

>  <Molecular Weight>
261.368000

>  <IUPAC Name>


>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC12CC3=CC=CC4=C3C5=C(C4)C=CC(=C51)CCN2C

>  <Isomeric SMILES>
C[C@@]12CC3=CC=CC4=C3C5=C(C4)C=CC(=C51)CCN2C

>  <InChI Std. ID>
InChI=1S/C19H19N/c1-19-11-15-5-3-4-13-10-14-7-6-12(8-9-20(19)2)18(19)17(14)16(13)15/h3-7H,8-11H2,1-2H3/t19-/m1/s1

>  <InChI Key>
AHBOSRZKKHTKEU-LJQANCHMSA-N

