
 CHEMBL596274

 36 39  0  0  0  0  0  0  0  0999 V2000
    0.7769    0.0824    1.0919 C   0  0  0  0  0
    2.1233   -0.0018    0.5344 N   0  0  0  0  0
    2.7487    1.1544    0.0299 C   0  0  0  0  0
    3.9919    1.1273   -0.4909 C   0  0  0  0  0
    4.6334   -0.1261   -0.5215 C   0  0  0  0  0
    4.0708   -1.2987   -0.0639 C   0  0  0  0  0
    2.7475   -1.2749    0.5228 C   0  0  0  0  0
    2.2166   -2.2873    0.9708 O   0  0  0  0  0
    5.0420   -2.3057   -0.3088 C   0  0  0  0  0
    6.1395   -1.7486   -0.8540 N   0  0  0  0  0
    5.8774   -0.4030   -0.9916 O   0  0  0  0  0
    5.0052   -3.7434   -0.0645 C   0  0  0  0  0
    6.1519   -4.4223    0.3449 C   0  0  0  0  0
    6.2140   -5.7572    0.5836 N   0  0  0  0  0
    5.0760   -6.4563    0.3952 C   0  0  0  0  0
    3.8864   -5.8853   -0.0244 C   0  0  0  0  0
    3.8560   -4.5113   -0.2627 C   0  0  0  0  0
    2.0544    2.4537    0.0464 C   0  0  0  0  0
    2.1855    3.3151    1.1436 C   0  0  0  0  0
    1.5346    4.5500    1.1487 C   0  0  0  0  0
    0.7558    4.9333    0.0574 C   0  0  0  0  0
    0.6267    4.0849   -1.0414 C   0  0  0  0  0
    1.2752    2.8493   -1.0492 C   0  0  0  0  0
    0.7626    0.8047    1.9138 H   0  0  0  0  0
    0.4360   -0.8781    1.4878 H   0  0  0  0  0
    0.0792    0.3883    0.3061 H   0  0  0  0  0
    4.4949    2.0039   -0.8837 H   0  0  0  0  0
    7.0917   -3.8977    0.5014 H   0  0  0  0  0
    5.1474   -7.5224    0.5925 H   0  0  0  0  0
    3.0001   -6.4941   -0.1652 H   0  0  0  0  0
    2.9295   -4.0621   -0.6085 H   0  0  0  0  0
    2.7912    3.0275    2.0004 H   0  0  0  0  0
    1.6360    5.2144    2.0035 H   0  0  0  0  0
    0.2504    5.8962    0.0623 H   0  0  0  0  0
    0.0218    4.3868   -1.8930 H   0  0  0  0  0
    1.1682    2.1962   -1.9129 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
 15 16  1  0  0  0
 15 29  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>
CHEMBL596274

>  <PubChem CID>
23579325

>  <Formula>
C18H13N3O2

>  <Molecular Weight>
303.321000

>  <IUPAC Name>
5-methyl-6-phenyl-3-pyridin-3-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=CN=CC=C3)C4=CC=CC=C4

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

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

>  <InChI Key>
BJYLAOMUPXSMMJ-UHFFFAOYSA-N

