
 CHEMBL592956

 36 39  0  0  0  0  0  0  0  0999 V2000
    0.6849   -0.1340    0.3108 C   0  0  0  0  0
    2.1372   -0.1060    0.1623 N   0  0  0  0  0
    2.8095    1.1264    0.0569 C   0  0  0  0  0
    4.1482    1.2033   -0.0711 C   0  0  0  0  0
    4.8499   -0.0183   -0.0881 C   0  0  0  0  0
    4.2563   -1.2580    0.0178 C   0  0  0  0  0
    2.8159   -1.3518    0.1376 C   0  0  0  0  0
    2.2380   -2.4319    0.2146 O   0  0  0  0  0
    5.3227   -2.1946   -0.0429 C   0  0  0  0  0
    6.4887   -1.5381   -0.1948 N   0  0  0  0  0
    6.1907   -0.1939   -0.2142 O   0  0  0  0  0
    5.3195   -3.6564    0.0203 C   0  0  0  0  0
    4.4593   -4.3557    0.8665 C   0  0  0  0  0
    4.5202   -5.7404    0.8781 C   0  0  0  0  0
    5.3797   -6.4634    0.1301 N   0  0  0  0  0
    6.2169   -5.7697   -0.6675 C   0  0  0  0  0
    6.2251   -4.3880   -0.7564 C   0  0  0  0  0
    2.0620    2.3959    0.0769 C   0  0  0  0  0
    1.8251    3.0588    1.2882 C   0  0  0  0  0
    1.1308    4.2699    1.3023 C   0  0  0  0  0
    0.6744    4.8270    0.1082 C   0  0  0  0  0
    0.9120    4.1766   -1.1020 C   0  0  0  0  0
    1.6063    2.9656   -1.1196 C   0  0  0  0  0
    0.4090    0.3606    1.2473 H   0  0  0  0  0
    0.2952   -1.1549    0.3437 H   0  0  0  0  0
    0.2179    0.3742   -0.5381 H   0  0  0  0  0
    4.6879    2.1398   -0.1576 H   0  0  0  0  0
    3.7529   -3.8537    1.5173 H   0  0  0  0  0
    3.8591   -6.3217    1.5150 H   0  0  0  0  0
    6.9061   -6.3716   -1.2525 H   0  0  0  0  0
    6.9300   -3.8954   -1.4189 H   0  0  0  0  0
    2.1779    2.6354    2.2261 H   0  0  0  0  0
    0.9473    4.7804    2.2446 H   0  0  0  0  0
    0.1347    5.7709    0.1205 H   0  0  0  0  0
    0.5579    4.6138   -2.0325 H   0  0  0  0  0
    1.7869    2.4684   -2.0702 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 20 21  2  0  0  0
 20 33  1  0  0  0
 21 22  1  0  0  0
 21 34  1  0  0  0
 22 23  2  0  0  0
 22 35  1  0  0  0
 23 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL592956

>  <PubChem CID>
23579326

>  <Formula>
C18H13N3O2

>  <Molecular Weight>
303.321000

>  <IUPAC Name>
5-methyl-6-phenyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=NC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=NC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H13N3O2/c1-21-14(12-5-3-2-4-6-12)11-15-16(18(21)22)17(20-23-15)13-7-9-19-10-8-13/h2-11H,1H3

>  <InChI Key>
BGCDFCJIPDVNPE-UHFFFAOYSA-N

