
 CHEMBL1823844

 57 61  0  0  0  0  0  0  0  0999 V2000
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    5.1453    3.1575    0.7428 H   0  0  0  0  0
    4.0187    0.9702    0.9630 H   0  0  0  0  0
    1.7411    6.3048    0.8872 H   0  0  0  0  0
    0.7035    7.4137    2.3243 H   0  0  0  0  0
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  2  5  1  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1823844

>  <PubChem CID>
44628450

>  <Formula>
C24H22ClN5O4S

>  <Molecular Weight>
511.981000

>  <IUPAC Name>
N-(2-chloro-5-methylsulfonylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C24H22ClN5O4S/c1-35(32,33)17-7-8-18(25)21(14-17)27-24(31)30-12-10-16(11-13-30)23-28-22(29-34-23)20-9-6-15-4-2-3-5-19(15)26-20/h2-9,14,16H,10-13H2,1H3,(H,27,31)

>  <InChI Key>
AEWZNGLUOQGXNX-UHFFFAOYSA-N

