
 CHEMBL1090526

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9774    0.3369   -0.6727 C   0  0  0  0  0
    2.3846   -0.2150   -0.4018 C   0  0  0  0  0
    2.8846   -1.0746   -1.5424 C   0  0  0  0  0
    3.1146   -2.4084   -1.5432 C   0  0  0  0  0
    3.6798   -2.9100   -2.8543 C   0  0  0  0  0
    3.6975   -1.6531   -3.6584 C   0  0  0  0  0
    3.2220   -0.5817   -2.8871 C   0  0  0  0  0
    3.1243    0.6836   -3.4474 C   0  0  0  0  0
    3.5093    0.8642   -4.7822 C   0  0  0  0  0
    3.9925   -0.2148   -5.5255 C   0  0  0  0  0
    4.0966   -1.4866   -4.9775 C   0  0  0  0  0
    4.3589   -0.0181   -6.8007 F   0  0  0  0  0
    2.8914   -3.3936   -0.4312 C   0  0  0  0  0
    1.4842   -4.0129   -0.5158 C   0  0  0  0  0
    1.2479   -5.1061    0.4464 N   0  0  0  0  0
    1.2921   -4.6386    1.8335 C   0  0  0  0  0
   -0.0554   -5.7237    0.1783 C   0  0  0  0  0
    3.3872    0.8583    0.0061 C   0  0  0  0  0
    3.1492    2.1499   -0.3695 N   0  0  0  0  0
    4.0958    3.0516   -0.0261 C   0  0  0  0  0
    5.2382    2.6998    0.6686 C   0  0  0  0  0
    5.4921    1.4313    1.0544 N   0  0  0  0  0
    4.5546    0.5168    0.7044 C   0  0  0  0  0
    4.7281   -0.7935    1.0976 O   0  0  0  0  0
    6.0792   -1.1044    1.4164 C   0  0  0  0  0
    0.6035    0.8831    0.2012 H   0  0  0  0  0
    0.2743   -0.4780   -0.8788 H   0  0  0  0  0
    0.9460    1.0252   -1.5226 H   0  0  0  0  0
    2.2516   -0.8475    0.4855 H   0  0  0  0  0
    3.0282   -3.6615   -3.3101 H   0  0  0  0  0
    4.6922   -3.3042   -2.7193 H   0  0  0  0  0
    2.7522    1.5309   -2.8825 H   0  0  0  0  0
    3.4328    1.8420   -5.2466 H   0  0  0  0  0
    4.4706   -2.3120   -5.5703 H   0  0  0  0  0
    3.0356   -2.9029    0.5360 H   0  0  0  0  0
    3.6548   -4.1797   -0.4865 H   0  0  0  0  0
    1.3556   -4.4149   -1.5298 H   0  0  0  0  0
    0.7280   -3.2252   -0.3926 H   0  0  0  0  0
    2.2960   -4.2969    2.1039 H   0  0  0  0  0
    1.0593   -5.4582    2.5231 H   0  0  0  0  0
    0.5827   -3.8240    2.0186 H   0  0  0  0  0
   -0.0905   -6.1262   -0.8400 H   0  0  0  0  0
   -0.8815   -5.0129    0.2974 H   0  0  0  0  0
   -0.2281   -6.5696    0.8533 H   0  0  0  0  0
    3.9101    4.0756   -0.3299 H   0  0  0  0  0
    5.9864    3.4368    0.9371 H   0  0  0  0  0
    6.4120   -0.5724    2.3141 H   0  0  0  0  0
    6.7421   -0.9005    0.5684 H   0  0  0  0  0
    6.1314   -2.1771    1.6286 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 18  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
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 10 12  1  0  0  0
 11 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
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 15 17  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1090526

>  <PubChem CID>
46884734

>  <Formula>
C20H24FN3O

>  <Molecular Weight>
341.430000

>  <IUPAC Name>
2-[6-fluoro-3-[(1R)-1-(3-methoxypyrazin-2-yl)ethyl]-1H-inden-2-yl]-N,N-dimethylethanamine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=C(CC2=C1C=CC(=C2)F)CCN(C)C)C3=NC=CN=C3OC

>  <Isomeric SMILES>
C[C@H](C1=C(CC2=C1C=CC(=C2)F)CCN(C)C)C3=NC=CN=C3OC

>  <InChI Std. ID>
InChI=1S/C20H24FN3O/c1-13(19-20(25-4)23-9-8-22-19)18-14(7-10-24(2)3)11-15-12-16(21)5-6-17(15)18/h5-6,8-9,12-13H,7,10-11H2,1-4H3/t13-/m1/s1

>  <InChI Key>
ABDWUBPDHWDFCV-CYBMUJFWSA-N

