
 CHEMBL1783963

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.5307    0.6832    2.0718 C   0  0  0  0  0
    2.9902    0.8305    1.7592 C   0  0  0  0  0
    3.7004   -0.3029    1.5543 N   0  0  0  0  0
    5.0187   -0.1719    1.2833 C   0  0  0  0  0
    5.6838    1.0466    1.2002 C   0  0  0  0  0
    4.9268    2.2010    1.4036 C   0  0  0  0  0
    3.5676    2.0948    1.6895 C   0  0  0  0  0
    7.1544    1.1112    0.8895 C   0  0  0  0  0
    7.4248    1.1914   -0.6125 C   0  0  0  0  0
    8.8509    1.2128   -0.9076 N   0  0  0  0  0
    9.6151    2.3377   -1.0600 C   0  0  0  0  0
   10.9043    1.9633   -1.3814 C   0  0  0  0  0
   12.0106    2.9469   -1.6169 C   0  0  0  0  0
   11.4459    4.2856   -1.9226 N   0  0  0  0  0
   10.4187    4.6817   -0.9307 C   0  0  0  0  0
    9.1732    3.7581   -0.9672 C   0  0  0  0  0
   12.5186    5.2758   -1.9804 C   0  0  0  0  0
   10.9375    0.5407   -1.3959 C   0  0  0  0  0
    9.6424    0.0901   -1.0957 C   0  0  0  0  0
    9.3316   -1.2801   -1.0311 C   0  0  0  0  0
   10.3548   -2.2001   -1.2758 C   0  0  0  0  0
   11.6380   -1.7634   -1.5730 C   0  0  0  0  0
   11.9512   -0.4077   -1.6379 C   0  0  0  0  0
   12.5997   -2.6676   -1.8030 F   0  0  0  0  0
    1.2413   -0.3720    2.0987 H   0  0  0  0  0
    0.9278    1.1828    1.3068 H   0  0  0  0  0
    1.3065    1.1223    3.0492 H   0  0  0  0  0
    5.5411   -1.1134    1.1344 H   0  0  0  0  0
    5.3858    3.1847    1.3507 H   0  0  0  0  0
    2.9703    2.9853    1.8583 H   0  0  0  0  0
    7.6532    0.2338    1.3216 H   0  0  0  0  0
    7.5957    1.9761    1.4012 H   0  0  0  0  0
    6.9783    2.0928   -1.0480 H   0  0  0  0  0
    6.9863    0.3399   -1.1463 H   0  0  0  0  0
   12.6463    2.9825   -0.7234 H   0  0  0  0  0
   12.6232    2.6110   -2.4620 H   0  0  0  0  0
   10.8508    4.6753    0.0796 H   0  0  0  0  0
   10.0789    5.7059   -1.1280 H   0  0  0  0  0
    8.5667    3.9264   -0.0712 H   0  0  0  0  0
    8.5631    4.0015   -1.8454 H   0  0  0  0  0
   12.1226    6.2551   -2.2709 H   0  0  0  0  0
   13.2581    4.9993   -2.7404 H   0  0  0  0  0
   13.0349    5.3849   -1.0197 H   0  0  0  0  0
    8.3296   -1.6273   -0.8018 H   0  0  0  0  0
   10.1530   -3.2662   -1.2374 H   0  0  0  0  0
   12.9638   -0.1017   -1.8756 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 19  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
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 22 24  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1783963

>  <PubChem CID>
54585846

>  <Formula>
C20H22FN3

>  <Molecular Weight>
323.415000

>  <IUPAC Name>
8-fluoro-2-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)C)C4=C2C=CC(=C4)F

>  <Isomeric SMILES>
CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)C)C4=C2C=CC(=C4)F

>  <InChI Std. ID>
InChI=1S/C20H22FN3/c1-14-3-4-15(12-22-14)7-10-24-19-6-5-16(21)11-17(19)18-13-23(2)9-8-20(18)24/h3-6,11-12H,7-10,13H2,1-2H3

>  <InChI Key>
ALOWJQCLRWGVOV-UHFFFAOYSA-N

