
 CHEMBL468370

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.3344   -1.4710    0.1003 C   0  0  0  0  0
   -0.7232   -0.6449    1.0374 C   0  0  0  0  0
    0.6194   -0.2865    0.8833 C   0  0  0  0  0
    1.3772   -0.7355   -0.2158 C   0  0  0  0  0
    0.7304   -1.5534   -1.1581 C   0  0  0  0  0
   -0.6075   -1.9270   -0.9953 C   0  0  0  0  0
    2.7926   -0.3249   -0.3740 C   0  0  0  0  0
    3.1196    1.0372   -0.2559 C   0  0  0  0  0
    4.4398    1.4488   -0.3775 C   0  0  0  0  0
    5.4495    0.5877   -0.6375 N   0  0  0  0  0
    5.1526   -0.7194   -0.7539 C   0  0  0  0  0
    3.8515   -1.2219   -0.6261 C   0  0  0  0  0
    3.6431   -2.6387   -0.7180 C   0  0  0  0  0
    3.4931   -3.7873   -0.7788 N   0  0  0  0  0
    6.2465   -1.5262   -1.0657 N   0  0  0  0  0
    4.8504    2.8360   -0.2079 C   0  0  0  0  0
    6.0603    3.4941   -0.3200 C   0  0  0  0  0
    5.8198    4.8513    0.0030 C   0  0  0  0  0
    4.4794    4.9419    0.2922 C   0  0  0  0  0
    3.8820    3.7287    0.1663 O   0  0  0  0  0
   -2.3754   -1.7586    0.2219 H   0  0  0  0  0
   -1.2893   -0.2780    1.8899 H   0  0  0  0  0
    1.0698    0.3534    1.6405 H   0  0  0  0  0
    1.2566   -1.9165   -2.0392 H   0  0  0  0  0
   -1.0798   -2.5766   -1.7280 H   0  0  0  0  0
    2.3426    1.7747   -0.0701 H   0  0  0  0  0
    6.3501   -2.3257   -0.4491 H   0  0  0  0  0
    7.0767   -0.9382   -1.0642 H   0  0  0  0  0
    6.9997    3.0352   -0.5967 H   0  0  0  0  0
    6.5352    5.6612    0.0260 H   0  0  0  0  0
    3.8305    5.7537    0.5907 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 16  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  3  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 18 19  2  0  0  0
 18 30  1  0  0  0
 19 20  1  0  0  0
 19 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL468370

>  <PubChem CID>
24950370

>  <Formula>
C16H11N3O

>  <Molecular Weight>
261.284000

>  <IUPAC Name>
2-amino-6-(furan-2-yl)-4-phenylpyridine-3-carbonitrile

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CO3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CO3

>  <InChI Std. ID>
InChI=1S/C16H11N3O/c17-10-13-12(11-5-2-1-3-6-11)9-14(19-16(13)18)15-7-4-8-20-15/h1-9H,(H2,18,19)

>  <InChI Key>
ABFMBAYHWWNULS-UHFFFAOYSA-N

