
 SCHEMBL2192519

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.5095   -0.4575    0.0214 C   0  0  0  0  0
   -2.4419    0.9215   -0.0409 C   0  0  0  0  0
   -1.1976    1.5473   -0.0476 C   0  0  0  0  0
    0.0148    0.8151   -0.0103 C   0  0  0  0  0
   -0.0432   -0.6089   -0.0024 C   0  0  0  0  0
   -1.3326   -1.2073    0.0504 C   0  0  0  0  0
    1.1895   -1.3350    0.0146 C   0  0  0  0  0
    2.4245   -0.6709    0.0846 C   0  0  0  0  0
    2.4646    0.7165    0.0949 C   0  0  0  0  0
    1.2805    1.4518    0.0353 C   0  0  0  0  0
    1.4539    3.1779    0.0342 Cl  0  0  0  0  0
    1.2317   -2.7488   -0.1024 N   0  0  0  0  0
    0.5065   -3.5408   -0.9815 C   0  0  0  0  0
    0.8189   -4.8222   -0.9019 N   0  0  0  0  0
    1.7910   -4.8588    0.0351 C   0  0  0  0  0
    2.0768   -3.6224    0.5490 C   0  0  0  0  0
    3.0034   -3.4556    1.5616 N   0  0  0  0  0
    3.7151   -4.5934    2.0696 C   0  0  0  0  0
    4.5261   -4.4178    2.9574 O   0  0  0  0  0
    3.3875   -5.9105    1.4597 C   0  0  0  0  0
    2.4605   -6.0135    0.4919 C   0  0  0  0  0
   -3.4766   -0.9542    0.0570 H   0  0  0  0  0
   -3.3518    1.5166   -0.0643 H   0  0  0  0  0
   -1.1908    2.6363   -0.0719 H   0  0  0  0  0
   -1.4583   -2.2831    0.1472 H   0  0  0  0  0
    3.3729   -1.2033    0.0529 H   0  0  0  0  0
    3.4250    1.2282    0.1209 H   0  0  0  0  0
   -0.2025   -3.1217   -1.6862 H   0  0  0  0  0
    3.1783   -2.5585    1.9947 H   0  0  0  0  0
    3.9274   -6.7669    1.8432 H   0  0  0  0  0
    2.2132   -6.9737    0.0495 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 15 21  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 30  1  0  0  0
 21 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192519

>  <PubChem CID>
58345684

>  <Formula>
C16H10ClN3O

>  <Molecular Weight>
295.726000

>  <IUPAC Name>
3-(4-chloronaphthalen-1-yl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=CC=C2Cl)N3C=NC4=C3NC(=O)C=C4

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=CC=C2Cl)N3C=NC4=C3NC(=O)C=C4

>  <InChI Std. ID>
InChI=1S/C16H10ClN3O/c17-12-5-7-14(11-4-2-1-3-10(11)12)20-9-18-13-6-8-15(21)19-16(13)20/h1-9H,(H,19,21)

>  <InChI Key>
MITUBVWASCOMGZ-UHFFFAOYSA-N

