
 SCHEMBL2194756

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1075   -0.5633    0.3741 C   0  0  0  0  0
    2.5592   -0.2208    0.1602 C   0  0  0  0  0
    3.0487    1.0703   -0.1356 C   0  0  0  0  0
    4.4202    1.2564   -0.3929 C   0  0  0  0  0
    5.2998    0.1758   -0.3391 C   0  0  0  0  0
    4.8361   -1.0937   -0.0265 C   0  0  0  0  0
    3.4776   -1.2875    0.2259 C   0  0  0  0  0
    6.9732    0.4284   -0.6437 Cl  0  0  0  0  0
    2.2126    2.2180   -0.1619 N   0  0  0  0  0
    1.1622    2.5189    0.6931 C   0  0  0  0  0
    0.6132    3.6956    0.4490 N   0  0  0  0  0
    1.3322    4.1774   -0.5860 C   0  0  0  0  0
    2.3113    3.3127   -0.9984 C   0  0  0  0  0
    3.1054    3.5941   -2.0952 N   0  0  0  0  0
    2.9373    4.8338   -2.7989 C   0  0  0  0  0
    3.6486    5.0535   -3.7592 O   0  0  0  0  0
    1.8830    5.7514   -2.2904 C   0  0  0  0  0
    1.1242    5.4130   -1.2344 C   0  0  0  0  0
    0.8272   -0.4004    1.4186 H   0  0  0  0  0
    0.9137   -1.6153    0.1348 H   0  0  0  0  0
    0.4593    0.0203   -0.2865 H   0  0  0  0  0
    4.8401    2.2437   -0.5679 H   0  0  0  0  0
    5.5208   -1.9372    0.0242 H   0  0  0  0  0
    3.1338   -2.2952    0.4611 H   0  0  0  0  0
    0.8736    1.8711    1.5099 H   0  0  0  0  0
    3.7853    2.9396   -2.4595 H   0  0  0  0  0
    1.7610    6.6866   -2.8210 H   0  0  0  0  0
    0.3468    6.0751   -0.8655 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194756

>  <PubChem CID>
58345658

>  <Formula>
C13H10ClN3O

>  <Molecular Weight>
259.693000

>  <IUPAC Name>
3-(5-chloro-2-methylphenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C=C(C=C1)Cl)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)Cl)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H10ClN3O/c1-8-2-3-9(14)6-11(8)17-7-15-10-4-5-12(18)16-13(10)17/h2-7H,1H3,(H,16,18)

>  <InChI Key>
CKAZDTUUBHSWEM-UHFFFAOYSA-N

