
 MLS000862515

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M  END

>  <Chemical Name>
MLS000862515

>  <PubChem CID>
1261290

>  <Formula>
C28H25N5O4S

>  <Molecular Weight>
527.599000

>  <IUPAC Name>
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NO5)C)C)C

>  <Isomeric SMILES>
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NO5)C)C)C

>  <InChI Std. ID>
InChI=1S/C28H25N5O4S/c1-16-12-17(2)26-23(13-16)24(14-25(31-26)20-6-5-11-29-15-20)27(34)30-21-7-9-22(10-8-21)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)

>  <InChI Key>
DOQFHXQSFNOXOF-UHFFFAOYSA-N

