
 CHEMBL3717598

 51 53  0  0  0  0  0  0  0  0999 V2000
    3.2783    3.0760    1.2155 C   0  0  0  0  0
    3.0648    2.2287   -0.0138 C   0  0  0  0  0
    3.3422    2.8132   -1.2634 C   0  0  0  0  0
    3.1167    2.1204   -2.4472 C   0  0  0  0  0
    2.6108    0.8279   -2.3991 C   0  0  0  0  0
    2.3407    0.2101   -1.1646 C   0  0  0  0  0
    2.5496    0.9057    0.0512 C   0  0  0  0  0
    2.2446    0.2701    1.3976 C   0  0  0  0  0
    3.4545   -0.3751    2.1068 C   0  0  0  0  0
    3.0524   -0.7856    3.5274 C   0  0  0  0  0
    4.0011   -1.5926    1.3612 C   0  0  0  0  0
    1.8075   -1.1834   -1.2265 C   0  0  0  0  0
    0.7653   -1.4986   -0.6686 O   0  0  0  0  0
    2.5522   -2.0528   -1.9996 N   0  0  0  0  0
    2.0381   -3.3778   -2.4085 C   0  0  0  0  0
    3.1854   -4.1764   -3.0954 C   0  0  0  0  0
    2.9398   -5.5836   -2.6514 C   0  0  0  0  0
    2.0277   -5.6263   -1.5947 C   0  0  0  0  0
    1.5584   -4.2519   -1.2168 C   0  0  0  0  0
    1.6790   -6.8326   -1.0087 C   0  0  0  0  0
    2.2576   -7.9946   -1.5112 C   0  0  0  0  0
    3.1729   -7.9587   -2.5696 C   0  0  0  0  0
    3.5257   -6.7391   -3.1475 C   0  0  0  0  0
    1.9373   -9.1765   -0.9670 F   0  0  0  0  0
    0.9064   -3.2215   -3.4528 C   0  0  0  0  0
    0.1295   -4.0846   -3.8337 O   0  0  0  0  0
    0.8964   -2.0168   -4.0725 O   0  0  0  0  0
    3.8896    2.5547    1.9558 H   0  0  0  0  0
    2.3144    3.3468    1.6572 H   0  0  0  0  0
    3.8043    4.0064    0.9735 H   0  0  0  0  0
    3.7245    3.8313   -1.3200 H   0  0  0  0  0
    3.3189    2.5944   -3.4041 H   0  0  0  0  0
    2.4007    0.3115   -3.3333 H   0  0  0  0  0
    1.4336   -0.4587    1.3159 H   0  0  0  0  0
    1.8191    1.0451    2.0491 H   0  0  0  0  0
    4.2680    0.3548    2.1891 H   0  0  0  0  0
    2.2396   -1.5201    3.5127 H   0  0  0  0  0
    2.7144    0.0826    4.1031 H   0  0  0  0  0
    3.8994   -1.2292    4.0613 H   0  0  0  0  0
    3.2234   -2.3473    1.2094 H   0  0  0  0  0
    4.4089   -1.3106    0.3861 H   0  0  0  0  0
    4.8144   -2.0601    1.9271 H   0  0  0  0  0
    3.3030   -1.6587   -2.5501 H   0  0  0  0  0
    4.1719   -3.8586   -2.7380 H   0  0  0  0  0
    3.1574   -4.0939   -4.1874 H   0  0  0  0  0
    2.0415   -3.9621   -0.2770 H   0  0  0  0  0
    0.4715   -4.2288   -1.0916 H   0  0  0  0  0
    0.9754   -6.8855   -0.1854 H   0  0  0  0  0
    3.6034   -8.8870   -2.9312 H   0  0  0  0  0
    4.2390   -6.7031   -3.9654 H   0  0  0  0  0
    0.1250   -2.0834   -4.6756 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 23  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 50  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3717598

>  <PubChem CID>
59314187

>  <Formula>
C22H24FNO3

>  <Molecular Weight>
369.436000

>  <IUPAC Name>
(2R)-5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)N[C@@]2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H24FNO3/c1-13(2)9-19-14(3)5-4-6-18(19)20(25)24-22(21(26)27)11-15-7-8-17(23)10-16(15)12-22/h4-8,10,13H,9,11-12H2,1-3H3,(H,24,25)(H,26,27)/t22-/m1/s1

>  <InChI Key>
MSOVLVYBZYSIEE-JOCHJYFZSA-N

