
 CHEMBL7169

 33 35  0  0  0  0  0  0  0  0999 V2000
   -2.4682    0.8939   -0.3335 C   0  0  0  0  0
   -2.5407   -0.5526    0.1380 C   0  0  0  0  0
   -1.3064   -1.3592   -0.2905 C   0  0  0  0  0
    0.0031   -0.6010   -0.1499 C   0  0  0  0  0
    0.0297    0.7889    0.0891 C   0  0  0  0  0
   -1.2394    1.5879    0.2453 C   0  0  0  0  0
    1.2702    1.4169    0.2378 C   0  0  0  0  0
    2.4631    0.7041    0.1219 C   0  0  0  0  0
    2.4476   -0.6588   -0.1315 C   0  0  0  0  0
    1.2185   -1.3083   -0.2624 C   0  0  0  0  0
    3.6344    1.3969    0.2717 O   0  0  0  0  0
    1.3343    2.7585    0.5091 O   0  0  0  0  0
   -1.5163   -1.9194   -1.6941 C   0  0  0  0  0
   -1.4296   -1.1846   -2.7749 N   0  0  0  0  0
   -1.7114   -2.1276   -3.8921 C   0  0  0  0  0
   -1.6533   -3.5358   -3.2944 C   0  0  0  0  0
   -1.8138   -3.2488   -1.8896 N   0  0  0  0  0
   -3.3710    1.4328   -0.0237 H   0  0  0  0  0
   -2.4392    0.9339   -1.4285 H   0  0  0  0  0
   -3.4593   -1.0187   -0.2382 H   0  0  0  0  0
   -2.6110   -0.5598    1.2339 H   0  0  0  0  0
   -1.2516   -2.2233    0.3873 H   0  0  0  0  0
   -1.3967    1.7710    1.3157 H   0  0  0  0  0
   -1.1361    2.5626   -0.2462 H   0  0  0  0  0
    3.3654   -1.2290   -0.2264 H   0  0  0  0  0
    1.2082   -2.3782   -0.4590 H   0  0  0  0  0
    4.3689    0.7754    0.1316 H   0  0  0  0  0
    2.2917    2.9519    0.5467 H   0  0  0  0  0
   -2.7064   -1.9104   -4.2964 H   0  0  0  0  0
   -0.9758   -2.0055   -4.6932 H   0  0  0  0  0
   -0.6779   -3.9979   -3.4770 H   0  0  0  0  0
   -2.4427   -4.1857   -3.6800 H   0  0  0  0  0
   -1.4671   -3.9230   -1.2192 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 22  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL7169

>  <PubChem CID>
44263962

>  <Formula>
C13H16N2O2

>  <Molecular Weight>
232.283000

>  <IUPAC Name>
(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1,2-diol

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(C2=C(C1)C(=C(C=C2)O)O)C3=NCCN3

>  <Isomeric SMILES>
C1C[C@@H](C2=C(C1)C(=C(C=C2)O)O)C3=NCCN3

>  <InChI Std. ID>
InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m0/s1

>  <InChI Key>
LYRNYBCBYWDTIF-JTQLQIEISA-N

