
 CHEMBL62322

 62 65  0  0  0  0  0  0  0  0999 V2000
    2.1406   -0.2377    1.4926 C   0  0  0  0  0
    2.4581    0.1896    0.0554 C   0  0  0  0  0
    1.2378   -0.0764   -0.8561 C   0  0  0  0  0
    1.5080    0.2302   -2.3346 C   0  0  0  0  0
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    0.4786    0.4405   -4.6161 C   0  0  0  0  0
    0.9209   -0.5133   -5.5444 C   0  0  0  0  0
    1.1633   -0.1462   -6.8687 C   0  0  0  0  0
    0.9684    1.1723   -7.2621 C   0  0  0  0  0
    0.5371    2.1335   -6.3558 C   0  0  0  0  0
    0.2949    1.7692   -5.0315 C   0  0  0  0  0
    1.2022    1.5228   -8.5330 F   0  0  0  0  0
    2.9588    1.6249    0.0529 C   0  0  0  0  0
    2.0990    2.7199   -0.0311 C   0  0  0  0  0
    2.5920    4.0319   -0.0542 C   0  0  0  0  0
    3.9623    4.3086    0.0149 C   0  0  0  0  0
    4.3849    5.7284   -0.0715 C   0  0  0  0  0
    3.4266    6.6799   -0.0388 C   0  0  0  0  0
    3.8195    8.1454   -0.0692 C   0  0  0  0  0
    5.3035    8.3799    0.2269 C   0  0  0  0  0
    6.1241    7.4819   -0.5768 N   0  0  0  0  0
    5.8501    6.0827   -0.2109 C   0  0  0  0  0
    1.9428    6.3573    0.0291 C   0  0  0  0  0
    1.6145    4.9744   -0.1860 O   0  0  0  0  0
    1.3599    6.7234    1.4028 C   0  0  0  0  0
    1.1625    7.0976   -1.0701 C   0  0  0  0  0
    4.8305    3.1997    0.1357 C   0  0  0  0  0
    4.3279    1.8850    0.1681 C   0  0  0  0  0
    6.1762    3.4036    0.3318 O   0  0  0  0  0
    7.0070    2.6465   -0.5485 C   0  0  0  0  0
    3.0170   -0.1258    2.1413 H   0  0  0  0  0
    1.8348   -1.2889    1.5273 H   0  0  0  0  0
    1.3312    0.3644    1.9210 H   0  0  0  0  0
    3.2706   -0.4529   -0.3113 H   0  0  0  0  0
    0.3683    0.4959   -0.5102 H   0  0  0  0  0
    0.9556   -1.1341   -0.7693 H   0  0  0  0  0
    2.3009   -0.4311   -2.7057 H   0  0  0  0  0
    1.8761    1.2552   -2.4538 H   0  0  0  0  0
   -0.5728    0.6667   -2.7697 H   0  0  0  0  0
   -0.1069   -0.9852   -3.1256 H   0  0  0  0  0
    1.0812   -1.5445   -5.2391 H   0  0  0  0  0
    1.5052   -0.8772   -7.5932 H   0  0  0  0  0
    0.3976    3.1588   -6.6836 H   0  0  0  0  0
   -0.0331    2.5265   -4.3219 H   0  0  0  0  0
    1.0231    2.5800   -0.0871 H   0  0  0  0  0
    3.5837    8.5512   -1.0609 H   0  0  0  0  0
    3.2381    8.7151    0.6631 H   0  0  0  0  0
    5.5579    9.4180   -0.0136 H   0  0  0  0  0
    5.5118    8.2394    1.2952 H   0  0  0  0  0
    7.1096    7.6712   -0.4065 H   0  0  0  0  0
    6.3660    5.8668    0.7325 H   0  0  0  0  0
    6.3041    5.4790   -1.0033 H   0  0  0  0  0
    1.9002    6.2099    2.2074 H   0  0  0  0  0
    0.3143    6.4014    1.4800 H   0  0  0  0  0
    1.3953    7.7998    1.5995 H   0  0  0  0  0
    1.5576    6.8468   -2.0626 H   0  0  0  0  0
    1.1944    8.1854   -0.9497 H   0  0  0  0  0
    0.1089    6.7913   -1.0740 H   0  0  0  0  0
    5.0075    1.0483    0.3086 H   0  0  0  0  0
    6.6763    2.7386   -1.5898 H   0  0  0  0  0
    7.0570    1.5956   -0.2465 H   0  0  0  0  0
    8.0209    3.0548   -0.4788 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 43  1  0  0  0
 11 44  1  0  0  0
 13 28  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
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 17 22  1  0  0  0
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 18 23  1  0  0  0
 19 20  1  0  0  0
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 19 47  1  0  0  0
 20 21  1  0  0  0
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 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
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 22 52  1  0  0  0
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 23 26  1  0  0  0
 23 25  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 28 59  1  0  0  0
 29 30  1  0  0  0
 30 60  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL62322

>  <PubChem CID>
14983486

>  <Formula>
C26H32FNO2

>  <Molecular Weight>
409.545000

>  <IUPAC Name>
8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CCCC1=CC=C(C=C1)F)C2=CC3=C(C4=C(CCNC4)C(O3)(C)C)C(=C2)OC

>  <Isomeric SMILES>
CC(CCCC1=CC=C(C=C1)F)C2=CC3=C(C4=C(CCNC4)C(O3)(C)C)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C26H32FNO2/c1-17(6-5-7-18-8-10-20(27)11-9-18)19-14-23(29-4)25-21-16-28-13-12-22(21)26(2,3)30-24(25)15-19/h8-11,14-15,17,28H,5-7,12-13,16H2,1-4H3

>  <InChI Key>
AMZHBXGJIJPSJR-UHFFFAOYSA-N

