
 CHEMBL540613

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.2947   -0.1654    0.0736 C   0  0  0  0  0
    2.8896    0.0544   -0.2849 N   0  0  0  0  0
    2.0287   -0.7106    0.6359 C   0  0  0  0  0
    0.5882   -0.7424    0.2121 C   0  0  0  0  0
   -0.4444   -0.4357    1.0102 C   0  0  0  0  0
    2.5157    1.4979   -0.3644 C   0  0  0  0  0
    3.2870    2.2697   -1.4820 C   0  0  0  0  0
    3.9703    3.3858   -0.7597 C   0  0  0  0  0
    4.8428    4.3206   -1.3005 C   0  0  0  0  0
    5.3439    5.3102   -0.4606 C   0  0  0  0  0
    4.9819    5.3655    0.8895 C   0  0  0  0  0
    4.1078    4.4303    1.4287 C   0  0  0  0  0
    3.6016    3.4440    0.5872 C   0  0  0  0  0
    2.6315    2.3504    0.9579 C   0  0  0  0  0
    1.2971    2.8778    1.4596 C   0  0  0  0  0
    0.4676    3.6770    0.6556 C   0  0  0  0  0
   -0.7635    4.1308    1.1314 C   0  0  0  0  0
   -1.1800    3.7988    2.4180 C   0  0  0  0  0
   -0.3625    3.0197    3.2334 C   0  0  0  0  0
    0.8696    2.5655    2.7596 C   0  0  0  0  0
    5.4752    6.3442    1.7063 O   0  0  0  0  0
    6.1847    6.2343   -0.9500 F   0  0  0  0  0
    4.9786    0.3101   -0.6347 H   0  0  0  0  0
    4.5301   -1.2359    0.0348 H   0  0  0  0  0
    4.5380    0.1919    1.0791 H   0  0  0  0  0
    2.1286   -0.3507    1.6669 H   0  0  0  0  0
    2.3612   -1.7573    0.6401 H   0  0  0  0  0
    0.3915   -1.0400   -0.8153 H   0  0  0  0  0
   -0.3006   -0.1330    2.0415 H   0  0  0  0  0
   -1.4636   -0.4675    0.6393 H   0  0  0  0  0
    1.4732    1.5031   -0.7081 H   0  0  0  0  0
    2.5785    2.6798   -2.2115 H   0  0  0  0  0
    4.0055    1.6490   -2.0252 H   0  0  0  0  0
    5.1281    4.2966   -2.3460 H   0  0  0  0  0
    3.8194    4.4831    2.4736 H   0  0  0  0  0
    3.1038    1.7586    1.7505 H   0  0  0  0  0
    0.7735    3.9536   -0.3509 H   0  0  0  0  0
   -1.3966    4.7447    0.4961 H   0  0  0  0  0
   -2.1398    4.1508    2.7862 H   0  0  0  0  0
   -0.6852    2.7638    4.2391 H   0  0  0  0  0
    1.4907    1.9556    3.4119 H   0  0  0  0  0
    6.0437    6.9112    1.1525 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL540613

>  <PubChem CID>
11739113

>  <Formula>
C19H20FNO

>  <Molecular Weight>
297.373000

>  <IUPAC Name>
(2R,3R)-6-fluoro-2-[methyl(prop-2-enyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC=C)C1CC2=CC(=C(C=C2C1C3=CC=CC=C3)O)F

>  <Isomeric SMILES>
CN(CC=C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)O)F

>  <InChI Std. ID>
InChI=1S/C19H20FNO/c1-3-9-21(2)17-11-14-10-16(20)18(22)12-15(14)19(17)13-7-5-4-6-8-13/h3-8,10,12,17,19,22H,1,9,11H2,2H3/t17-,19-/m1/s1

>  <InChI Key>
CZNPGTGGOQOKCQ-IEBWSBKVSA-N

