
 SCHEMBL1649359

 44 47  0  0  0  0  0  0  0  0999 V2000
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    3.9515    4.6798    1.1404 C   0  0  0  0  0
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    4.2671    5.9969    1.0432 O   0  0  0  0  0
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    3.2656    2.7998   -0.4841 C   0  0  0  0  0
    1.8155    2.6610   -0.4789 N   0  0  0  0  0
    1.0370    2.2485    0.5673 C   0  0  0  0  0
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   -3.0824    0.3596    3.6160 C   0  0  0  0  0
   -4.5544   -1.1005    5.3273 Cl  0  0  0  0  0
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    4.2764    4.6807   -2.9462 H   0  0  0  0  0
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    3.6209    2.5331   -1.4858 H   0  0  0  0  0
    1.4672    1.9810    1.5226 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1649359

>  <PubChem CID>
57944947

>  <Formula>
C18H17ClN4O4

>  <Molecular Weight>
388.808000

>  <IUPAC Name>
5-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

>  <InChI Std. ID>
InChI=1S/C18H17ClN4O4/c1-10-14(11(2)27-22-10)9-23-8-13(7-20-23)21-18(24)12-5-15(19)17-16(6-12)25-3-4-26-17/h5-8H,3-4,9H2,1-2H3,(H,21,24)

>  <InChI Key>
FABGINNTCGFROF-UHFFFAOYSA-N

