
 CHEMBL1985907

 44 48  0  0  0  0  0  0  0  0999 V2000
    0.3467   -2.7322   -4.9912 C   0  0  0  0  0
    1.7777   -2.8616   -5.1226 O   0  0  0  0  0
    2.1992   -2.1530   -4.0420 C   0  0  0  0  0
    1.1545   -1.6437   -3.3072 C   0  0  0  0  0
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    2.6854   -0.6460   -1.7871 C   0  0  0  0  0
    3.7573   -1.1842   -2.5301 C   0  0  0  0  0
    3.5115   -1.9440   -3.6787 C   0  0  0  0  0
    2.8435    0.1140   -0.6460 O   0  0  0  0  0
    4.0247    0.8081   -0.4880 C   0  0  0  0  0
    4.3674    1.9297   -1.1319 C   0  0  0  0  0
    5.6976    2.5600   -0.8972 C   0  0  0  0  0
    6.0439    3.5558   -1.5319 O   0  0  0  0  0
    6.5048    1.9401    0.0553 N   0  0  0  0  0
    6.1199    0.8445    0.7998 N   0  0  0  0  0
    4.9642    0.3339    0.5367 C   0  0  0  0  0
    7.8715    2.4181    0.2629 C   0  0  0  0  0
    8.8854    1.6098   -0.5281 C   0  0  0  0  0
    9.1282    1.9987   -1.8603 C   0  0  0  0  0
   10.0395    1.3098   -2.6519 C   0  0  0  0  0
   10.7242    0.2188   -2.1267 C   0  0  0  0  0
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    4.7907   -1.0278   -2.2325 H   0  0  0  0  0
    4.3253   -2.3567   -4.2648 H   0  0  0  0  0
    4.6317   -0.5442    1.1152 H   0  0  0  0  0
    8.0888    2.4119    1.3359 H   0  0  0  0  0
    7.9442    3.4721   -0.0337 H   0  0  0  0  0
    8.6002    2.8510   -2.2871 H   0  0  0  0  0
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   11.4364   -0.3046   -2.7611 H   0  0  0  0  0
   11.9233   -1.8389   -0.9306 H   0  0  0  0  0
   11.5503   -2.6228    1.3701 H   0  0  0  0  0
    9.9072   -1.4654    2.8242 H   0  0  0  0  0
    8.6558    0.4512    1.9932 H   0  0  0  0  0
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  1 31  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1985907

>  <PubChem CID>
53230260

>  <Formula>
C22H15ClN2O4

>  <Molecular Weight>
406.822000

>  <IUPAC Name>
5-(1,3-benzodioxol-5-yloxy)-4-chloro-2-(naphthalen-1-ylmethyl)pyridazin-3-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1OC2=C(O1)C=C(C=C2)OC3=C(C(=O)N(N=C3)CC4=CC=CC5=CC=CC=C54)Cl

>  <Isomeric SMILES>
C1OC2=C(O1)C=C(C=C2)OC3=C(C(=O)N(N=C3)CC4=CC=CC5=CC=CC=C54)Cl

>  <InChI Std. ID>
InChI=1S/C22H15ClN2O4/c23-21-20(29-16-8-9-18-19(10-16)28-13-27-18)11-24-25(22(21)26)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-11H,12-13H2

>  <InChI Key>
FLHDOPXASAXTDO-UHFFFAOYSA-N

