
 SCHEMBL9999202

 63 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9999202

>  <PubChem CID>
54771979

>  <Formula>
C24H27F3N6O2S

>  <Molecular Weight>
520.575000

>  <IUPAC Name>
N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[methyl-[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CN(CC(=O)NC1CN(C1)C2CCC(CC2)(C3=NC=CS3)O)C4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
CN(CC(=O)NC1CN(C1)C2CCC(CC2)(C3=NC=CS3)O)C4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H27F3N6O2S/c1-32(21-18-10-15(24(25,26)27)2-3-19(18)29-14-30-21)13-20(34)31-16-11-33(12-16)17-4-6-23(35,7-5-17)22-28-8-9-36-22/h2-3,8-10,14,16-17,35H,4-7,11-13H2,1H3,(H,31,34)

>  <InChI Key>
YYNKWWMSCQAERL-UHFFFAOYSA-N

