
 CHEMBL1474245

 54 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1474245

>  <PubChem CID>
16009695

>  <Formula>
C24H22ClN3O3S

>  <Molecular Weight>
467.968000

>  <IUPAC Name>
2-[3-(2-chlorophenyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]-N-cyclohexylacetamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4Cl)SC5=CC=CC=C53

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4Cl)SC5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C24H22ClN3O3S/c25-17-11-5-6-12-18(17)28-23(30)22-21(16-10-4-7-13-19(16)32-22)27(24(28)31)14-20(29)26-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,29)

>  <InChI Key>
ADIFCWYBJOIPGH-UHFFFAOYSA-N

