
 CHEMBL3646988

 61 64  0  0  0  0  0  0  0  0999 V2000
    1.4260    0.3199    1.9743 C   0  0  0  0  0
    1.9926    0.2536    0.5654 C   0  0  0  0  0
    2.9106    1.4274    0.2598 C   0  0  0  0  0
    4.3073    1.4867    0.5816 C   0  0  0  0  0
    4.9716    2.7385    0.3663 C   0  0  0  0  0
    4.2749    3.8285   -0.2026 C   0  0  0  0  0
    2.9367    3.7330   -0.5438 C   0  0  0  0  0
    2.2607    2.5489   -0.3038 C   0  0  0  0  0
    6.4329    3.0117    0.6867 C   0  0  0  0  0
    7.3643    2.6143   -0.4459 C   0  0  0  0  0
    5.0387    0.2981    1.1150 C   0  0  0  0  0
    5.8738    0.5069    2.1557 N   0  0  0  0  0
    6.6131   -0.5305    2.6332 C   0  0  0  0  0
    6.4403   -1.8527    2.2111 C   0  0  0  0  0
    7.2473   -2.9408    2.8751 C   0  0  0  0  0
    8.5869   -2.4310    3.1618 N   0  0  0  0  0
    8.5726   -1.3064    4.1044 C   0  0  0  0  0
    7.7706   -0.1386    3.5205 C   0  0  0  0  0
    9.7541   -3.0368    2.7259 C   0  0  0  0  0
    9.9271   -3.6177    1.4446 C   0  0  0  0  0
   11.1554   -4.2243    1.0872 C   0  0  0  0  0
   12.2512   -4.2289    1.9462 C   0  0  0  0  0
   12.1048   -3.6438    3.1973 C   0  0  0  0  0
   10.8808   -3.0737    3.5748 C   0  0  0  0  0
   13.5579   -4.8305    1.5284 C   0  0  0  0  0
    8.8803   -3.6185    0.3625 C   0  0  0  0  0
    5.5231   -2.0849    1.1802 C   0  0  0  0  0
    4.9118   -0.9788    0.5693 C   0  0  0  0  0
    5.2217   -3.4554    0.6454 C   0  0  0  0  0
    0.7716   -0.5397    2.1537 H   0  0  0  0  0
    0.8347    1.2298    2.1200 H   0  0  0  0  0
    2.2211    0.3055    2.7262 H   0  0  0  0  0
    1.1613    0.2502   -0.1528 H   0  0  0  0  0
    2.4648   -0.7139    0.4127 H   0  0  0  0  0
    4.7886    4.7721   -0.3790 H   0  0  0  0  0
    2.4182    4.5847   -0.9743 H   0  0  0  0  0
    1.1997    2.5026   -0.5437 H   0  0  0  0  0
    6.7446    2.5539    1.6262 H   0  0  0  0  0
    6.5607    4.0867    0.8773 H   0  0  0  0  0
    7.3067    1.5428   -0.6576 H   0  0  0  0  0
    8.3995    2.8553   -0.1819 H   0  0  0  0  0
    7.1189    3.1572   -1.3652 H   0  0  0  0  0
    6.7483   -3.1980    3.8202 H   0  0  0  0  0
    7.2645   -3.8715    2.3089 H   0  0  0  0  0
    9.5710   -0.9317    4.3553 H   0  0  0  0  0
    8.1151   -1.6370    5.0459 H   0  0  0  0  0
    8.4502    0.4625    2.9009 H   0  0  0  0  0
    7.4180    0.5102    4.3305 H   0  0  0  0  0
   11.2566   -4.6766    0.1013 H   0  0  0  0  0
   12.9371   -3.6260    3.8963 H   0  0  0  0  0
   10.8212   -2.6682    4.5813 H   0  0  0  0  0
   13.5003   -5.2534    0.5196 H   0  0  0  0  0
   13.8403   -5.6354    2.2136 H   0  0  0  0  0
   14.3407   -4.0654    1.5245 H   0  0  0  0  0
    9.3309   -3.7382   -0.6294 H   0  0  0  0  0
    8.3454   -2.6680    0.3285 H   0  0  0  0  0
    8.1919   -4.4568    0.5021 H   0  0  0  0  0
    4.3200   -1.1291   -0.3283 H   0  0  0  0  0
    4.2385   -3.4765    0.1620 H   0  0  0  0  0
    5.1829   -4.1940    1.4524 H   0  0  0  0  0
    5.9715   -3.7538   -0.0910 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 27  1  0  0  0
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 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
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 22 23  1  0  0  0
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 26 57  1  0  0  0
 27 28  2  0  0  0
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 29 59  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3646988

>  <PubChem CID>
71240648

>  <Formula>
C27H32N2

>  <Molecular Weight>
384.567000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(CN(CC3)C4=C(C=C(C=C4)C)C)C(=C2)C

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(CN(CC3)C4=C(C=C(C=C4)C)C)C(=C2)C

>  <InChI Std. ID>
InChI=1S/C27H32N2/c1-6-21-9-8-10-22(7-2)27(21)25-16-19(4)23-17-29(14-13-24(23)28-25)26-12-11-18(3)15-20(26)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3

>  <InChI Key>
CCTAROKFVVAOQE-UHFFFAOYSA-N

