
 CHEMBL143509

 53 55  0  0  0  0  0  0  0  0999 V2000
    1.2327   -0.5296    0.0930 C   0  0  0  0  0
    2.6757   -0.2751   -0.3191 C   0  0  0  0  0
    3.1162    1.1579    0.0252 C   0  0  0  0  0
    4.5310    1.4488   -0.2826 N   0  0  0  0  0
    4.9056    1.1564   -1.6819 C   0  0  0  0  0
    4.0983    1.8808   -2.7791 C   0  0  0  0  0
    4.5044    1.5574   -4.1979 C   0  0  0  0  0
    4.8988    0.2866   -4.6080 C   0  0  0  0  0
    5.2176   -0.0419   -5.8810 N   0  0  0  0  0
    5.1225    0.9360   -6.8042 C   0  0  0  0  0
    4.7200    2.2263   -6.5130 C   0  0  0  0  0
    4.4034    2.5368   -5.1928 C   0  0  0  0  0
    4.9259    2.8060    0.1666 C   0  0  0  0  0
    6.4121    3.1794   -0.1149 C   0  0  0  0  0
    6.7048    4.1818    0.9552 C   0  0  0  0  0
    7.7665    5.0667    1.0278 C   0  0  0  0  0
    7.9124    5.8685    2.1694 C   0  0  0  0  0
    6.9753    5.7760    3.2240 C   0  0  0  0  0
    5.8952    4.8832    3.1228 C   0  0  0  0  0
    5.7781    4.0926    1.9891 C   0  0  0  0  0
    4.7580    3.0335    1.7001 C   0  0  0  0  0
    7.1047    6.6261    4.2937 O   0  0  0  0  0
    6.7512    6.0696    5.5559 C   0  0  0  0  0
    8.9981    6.7055    2.1048 O   0  0  0  0  0
    9.6423    7.0047    3.3367 C   0  0  0  0  0
    0.9404   -1.5493   -0.1735 H   0  0  0  0  0
    0.5550    0.1613   -0.4165 H   0  0  0  0  0
    1.1048   -0.4086    1.1718 H   0  0  0  0  0
    2.7518   -0.4620   -1.3960 H   0  0  0  0  0
    3.3287   -0.9967    0.1870 H   0  0  0  0  0
    2.9495    1.2837    1.1015 H   0  0  0  0  0
    2.4563    1.8766   -0.4769 H   0  0  0  0  0
    4.8347    0.0716   -1.8185 H   0  0  0  0  0
    5.9738    1.3539   -1.8353 H   0  0  0  0  0
    4.1981    2.9625   -2.6256 H   0  0  0  0  0
    3.0324    1.6417   -2.6921 H   0  0  0  0  0
    4.9668   -0.5472   -3.9164 H   0  0  0  0  0
    5.3795    0.6435   -7.8179 H   0  0  0  0  0
    4.6475    2.9729   -7.2955 H   0  0  0  0  0
    4.0710    3.5435   -4.9484 H   0  0  0  0  0
    4.2989    3.5526   -0.3450 H   0  0  0  0  0
    6.5319    3.6049   -1.1174 H   0  0  0  0  0
    7.0792    2.3186    0.0084 H   0  0  0  0  0
    8.4923    5.1306    0.2228 H   0  0  0  0  0
    5.1430    4.8092    3.8999 H   0  0  0  0  0
    4.9998    2.1318    2.2742 H   0  0  0  0  0
    3.7451    3.3706    1.9437 H   0  0  0  0  0
    7.2035    6.6943    6.3327 H   0  0  0  0  0
    7.1419    5.0530    5.6775 H   0  0  0  0  0
    5.6669    6.0933    5.6998 H   0  0  0  0  0
   10.6686    7.3104    3.1071 H   0  0  0  0  0
    9.7022    6.1334    3.9982 H   0  0  0  0  0
    9.1567    7.8518    3.8302 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 21  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
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 17 18  2  0  0  0
 17 24  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
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 20 21  1  0  0  0
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 22 23  1  0  0  0
 23 48  1  0  0  0
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 24 25  1  0  0  0
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 25 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL143509

>  <PubChem CID>
11046089

>  <Formula>
C21H28N2O2

>  <Molecular Weight>
340.467000

>  <IUPAC Name>
5,6-dimethoxy-N-propyl-N-(2-pyridin-3-ylethyl)-2,3-dihydro-1H-inden-2-amine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCC1=CN=CC=C1)C2CC3=CC(=C(C=C3C2)OC)OC

>  <Isomeric SMILES>
CCCN(CCC1=CN=CC=C1)C2CC3=CC(=C(C=C3C2)OC)OC

>  <InChI Std. ID>
InChI=1S/C21H28N2O2/c1-4-9-23(10-7-16-6-5-8-22-15-16)19-11-17-13-20(24-2)21(25-3)14-18(17)12-19/h5-6,8,13-15,19H,4,7,9-12H2,1-3H3

>  <InChI Key>
BGCJDPYLWUEEJR-UHFFFAOYSA-N

