
 SCHEMBL9998610

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M  END

>  <Chemical Name>
SCHEMBL9998610

>  <PubChem CID>
54769533

>  <Formula>
C24H31F3N6OS

>  <Molecular Weight>
508.608000

>  <IUPAC Name>
N-[1-(4-thiomorpholin-4-ylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CC(CCC1N2CCSCC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1N2CCSCC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H31F3N6OS/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-35-10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)

>  <InChI Key>
LQOWULNLASVYJL-UHFFFAOYSA-N

