
 SCHEMBL2194536

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2001   -0.4580   -1.1418 C   0  0  0  0  0
    2.4655   -0.2343   -0.3491 C   0  0  0  0  0
    2.9802    1.0482   -0.0459 C   0  0  0  0  0
    4.2693    1.1879    0.5025 C   0  0  0  0  0
    5.0228    0.0632    0.8289 C   0  0  0  0  0
    4.4996   -1.2059    0.6109 C   0  0  0  0  0
    3.2385   -1.3553    0.0277 C   0  0  0  0  0
    2.6731   -2.9729   -0.2153 Cl  0  0  0  0  0
    2.2363    2.2372   -0.2495 N   0  0  0  0  0
    2.7266    3.4512   -0.7108 C   0  0  0  0  0
    1.7962    4.3855   -0.7930 N   0  0  0  0  0
    0.6855    3.7757   -0.3267 C   0  0  0  0  0
    0.9138    2.4795    0.0526 C   0  0  0  0  0
   -0.0643    1.7277    0.6764 N   0  0  0  0  0
   -1.3686    2.2863    0.8856 C   0  0  0  0  0
   -2.2102    1.6002    1.4315 O   0  0  0  0  0
   -1.5781    3.6824    0.4171 C   0  0  0  0  0
   -0.5791    4.3773   -0.1532 C   0  0  0  0  0
    0.8610    0.4446   -1.6562 H   0  0  0  0  0
    0.3988   -0.8232   -0.4928 H   0  0  0  0  0
    1.3709   -1.1874   -1.9415 H   0  0  0  0  0
    4.6925    2.1643    0.7367 H   0  0  0  0  0
    6.0100    0.1743    1.2736 H   0  0  0  0  0
    5.0863   -2.0808    0.8852 H   0  0  0  0  0
    3.7600    3.5787   -1.0110 H   0  0  0  0  0
    0.1145    0.7981    1.0323 H   0  0  0  0  0
   -2.5641    4.1003    0.5740 H   0  0  0  0  0
   -0.7235    5.4014   -0.4837 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 23  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7  8  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>
SCHEMBL2194536

>  <PubChem CID>
58345722

>  <Formula>
C13H10ClN3O

>  <Molecular Weight>
259.693000

>  <IUPAC Name>
3-(3-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=CC=C1Cl)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
CC1=C(C=CC=C1Cl)N2C=NC3=C2NC(=O)C=C3

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

>  <InChI Key>
LXQFVECVECWPPX-UHFFFAOYSA-N

