
 CHEMBL2035510

 45 48  0  0  0  0  0  0  0  0999 V2000
    3.0677    0.7206    2.5201 C   0  0  0  0  0
    3.8961    1.1526    1.2966 C   0  0  0  0  0
    5.3597    1.3226    1.7318 C   0  0  0  0  0
    3.7105    0.2143    0.0532 C   0  0  0  0  0
    3.9401   -1.2413    0.4655 C   0  0  0  0  0
    4.9737   -1.7376    0.8857 O   0  0  0  0  0
    2.7609   -1.8882    0.3314 N   0  0  0  0  0
    1.8081   -1.0682   -0.1364 C   0  0  0  0  0
    0.6545   -1.3803   -0.3709 O   0  0  0  0  0
    2.2981    0.1948   -0.2820 O   0  0  0  0  0
    4.4481    0.6260   -1.2133 C   0  0  0  0  0
    4.7958    1.8929   -1.5262 C   0  0  0  0  0
    5.5250    2.2247   -2.7284 C   0  0  0  0  0
    5.8906    1.2526   -3.5736 C   0  0  0  0  0
    5.5365   -0.0418   -3.3073 N   0  0  0  0  0
    4.7912   -0.4345   -2.2249 C   0  0  0  0  0
    4.4100   -1.5948   -2.1191 O   0  0  0  0  0
    6.6378    1.5292   -4.8016 C   0  0  0  0  0
    8.0362    1.5826   -4.7819 C   0  0  0  0  0
    8.7652    1.8378   -5.9577 C   0  0  0  0  0
    8.0727    2.0450   -7.1726 C   0  0  0  0  0
    8.8028    2.2972   -8.3475 C   0  0  0  0  0
   10.1989    2.3444   -8.3287 C   0  0  0  0  0
   10.8824    2.1409   -7.1342 C   0  0  0  0  0
   10.1675    1.8915   -5.9660 C   0  0  0  0  0
   10.8532    1.6992   -4.8279 F   0  0  0  0  0
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    5.9589    1.7362   -6.0055 C   0  0  0  0  0
    2.0050    0.6335    2.2760 H   0  0  0  0  0
    3.1560    1.4629    3.3215 H   0  0  0  0  0
    3.4102   -0.2375    2.9249 H   0  0  0  0  0
    3.5081    2.1448    1.0289 H   0  0  0  0  0
    5.8051    0.3742    2.0452 H   0  0  0  0  0
    5.4277    2.0112    2.5817 H   0  0  0  0  0
    5.9820    1.7395    0.9360 H   0  0  0  0  0
    2.6286   -2.8719    0.4844 H   0  0  0  0  0
    4.5480    2.7316   -0.8832 H   0  0  0  0  0
    5.7694    3.2668   -2.9126 H   0  0  0  0  0
    5.7807   -0.7722   -3.9652 H   0  0  0  0  0
    8.5687    1.4183   -3.8456 H   0  0  0  0  0
    8.2854    2.4580   -9.2916 H   0  0  0  0  0
   10.7494    2.5390   -9.2458 H   0  0  0  0  0
   11.9669    2.1735   -7.1019 H   0  0  0  0  0
    6.1178    2.1488   -8.1048 H   0  0  0  0  0
    4.8718    1.6974   -6.0372 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
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  2 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  7  1  0  0  0
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  7  8  1  0  0  0
  7 36  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2035510

>  <PubChem CID>
49850346

>  <Formula>
C21H17FN2O4

>  <Molecular Weight>
380.375000

>  <IUPAC Name>
5-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-5-propan-2-yl-1,3-oxazolidine-2,4-dione

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1(C(=O)NC(=O)O1)C2=CC=C(NC2=O)C3=CC4=C(C=CC=C4F)C=C3

>  <Isomeric SMILES>
CC(C)C1(C(=O)NC(=O)O1)C2=CC=C(NC2=O)C3=CC4=C(C=CC=C4F)C=C3

>  <InChI Std. ID>
InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)

>  <InChI Key>
HBIUBRAEDHJWRD-UHFFFAOYSA-N

