
 CHEMBL585669

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M  END

>  <Chemical Name>
CHEMBL585669

>  <PubChem CID>
45487490

>  <Formula>
C22H27N5OS2

>  <Molecular Weight>
441.612000

>  <IUPAC Name>
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-[(6-methylpyridin-2-yl)methyl]-4-thiomorpholin-4-ylpyridin-2-amine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=NC(=CC=C1)CNC2=CC(=CC(=N2)CSC3=NC(=C(O3)C)C)N4CCSCC4

>  <Isomeric SMILES>
CC1=NC(=CC=C1)CNC2=CC(=CC(=N2)CSC3=NC(=C(O3)C)C)N4CCSCC4

>  <InChI Std. ID>
InChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-29-10-8-27)11-19(26-21)14-30-22-25-16(2)17(3)28-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)

>  <InChI Key>
ARDIAMNHXOVJPO-UHFFFAOYSA-N

