
 CHEMBL317532

 60 63  0  0  0  0  0  0  0  0999 V2000
    5.3249   -2.6041   -1.8607 C   0  0  0  0  0
    4.3545   -1.5626   -1.8459 O   0  0  0  0  0
    4.8476   -0.2843   -1.7076 C   0  0  0  0  0
    6.0162   -0.0067   -1.0033 C   0  0  0  0  0
    6.4776    1.3008   -0.9108 C   0  0  0  0  0
    5.7710    2.3698   -1.4905 C   0  0  0  0  0
    4.5486    2.1106   -2.1775 C   0  0  0  0  0
    3.7517    3.1183   -2.7769 C   0  0  0  0  0
    2.5741    2.8262   -3.4696 C   0  0  0  0  0
    2.1489    1.5137   -3.5820 C   0  0  0  0  0
    2.8985    0.4990   -2.9928 C   0  0  0  0  0
    4.0930    0.7651   -2.2857 C   0  0  0  0  0
    6.4278    3.7375   -1.4219 C   0  0  0  0  0
    6.6403    4.2630    0.0055 C   0  0  0  0  0
    7.3465    5.6261    0.0384 C   0  0  0  0  0
    8.7739    5.5688   -0.5157 C   0  0  0  0  0
    9.3886    6.8918   -0.4637 N   0  0  0  0  0
   10.7416    6.8691   -1.0422 C   0  0  0  0  0
   11.3137    8.2896   -1.1264 C   0  0  0  0  0
   11.6825    8.7276    0.1837 O   0  0  0  0  0
   11.8255   10.0725    0.3955 C   0  0  0  0  0
   11.9367   11.0945   -0.5617 C   0  0  0  0  0
   12.0385   12.4298   -0.1392 C   0  0  0  0  0
   12.0404   12.7575    1.2196 C   0  0  0  0  0
   11.9524   11.7369    2.1525 C   0  0  0  0  0
   11.8490   10.4093    1.7543 C   0  0  0  0  0
   11.9655   12.0348    3.4577 F   0  0  0  0  0
   12.1701   13.5036   -1.1464 C   0  0  0  0  0
   12.2944   14.6754   -0.8053 O   0  0  0  0  0
   12.2021   13.0844   -2.5890 C   0  0  0  0  0
   11.4401   11.7872   -2.7304 C   0  0  0  0  0
   12.0078   10.7772   -1.8960 O   0  0  0  0  0
    5.6727   -2.8248   -0.8463 H   0  0  0  0  0
    6.1654   -2.3659   -2.5221 H   0  0  0  0  0
    4.8412   -3.5053   -2.2489 H   0  0  0  0  0
    6.5900   -0.7887   -0.5181 H   0  0  0  0  0
    7.4160    1.4804   -0.3892 H   0  0  0  0  0
    4.0282    4.1665   -2.7138 H   0  0  0  0  0
    1.9944    3.6278   -3.9192 H   0  0  0  0  0
    1.2373    1.2741   -4.1224 H   0  0  0  0  0
    2.5427   -0.5251   -3.0927 H   0  0  0  0  0
    5.8768    4.4921   -1.9878 H   0  0  0  0  0
    7.3886    3.6378   -1.9409 H   0  0  0  0  0
    7.2238    3.5527    0.6023 H   0  0  0  0  0
    5.6668    4.3586    0.5021 H   0  0  0  0  0
    7.3744    5.9751    1.0787 H   0  0  0  0  0
    6.7526    6.3566   -0.5248 H   0  0  0  0  0
    8.7513    5.2376   -1.5589 H   0  0  0  0  0
    9.3665    4.8470    0.0587 H   0  0  0  0  0
    9.4498    7.2202    0.5016 H   0  0  0  0  0
   10.6983    6.4586   -2.0577 H   0  0  0  0  0
   11.3954    6.2352   -0.4321 H   0  0  0  0  0
   10.5506    8.9383   -1.5724 H   0  0  0  0  0
   12.2106    8.2697   -1.7553 H   0  0  0  0  0
   12.1228   13.7875    1.5521 H   0  0  0  0  0
   11.7770    9.6351    2.5122 H   0  0  0  0  0
   11.7357   13.8598   -3.2033 H   0  0  0  0  0
   13.2507   12.9639   -2.8822 H   0  0  0  0  0
   11.5027   11.4305   -3.7640 H   0  0  0  0  0
   10.3739   11.9044   -2.4929 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 13 14  1  0  0  0
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 31 32  1  0  0  0
 31 59  1  0  0  0
 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL317532

>  <PubChem CID>
10670618

>  <Formula>
C26H28FNO4

>  <Molecular Weight>
437.511000

>  <IUPAC Name>
6-fluoro-8-[2-[4-(4-methoxynaphthalen-1-yl)butylamino]ethoxy]-2,3-dihydrochromen-4-one

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C2=CC=CC=C21)CCCCNCCOC3=C4C(=CC(=C3)F)C(=O)CCO4

>  <Isomeric SMILES>
COC1=CC=C(C2=CC=CC=C21)CCCCNCCOC3=C4C(=CC(=C3)F)C(=O)CCO4

>  <InChI Std. ID>
InChI=1S/C26H28FNO4/c1-30-24-10-9-18(20-7-2-3-8-21(20)24)6-4-5-12-28-13-15-31-25-17-19(27)16-22-23(29)11-14-32-26(22)25/h2-3,7-10,16-17,28H,4-6,11-15H2,1H3

>  <InChI Key>
ADQOQGKIFXKTKW-UHFFFAOYSA-N

