
 SCHEMBL9999166

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9999166

>  <PubChem CID>
54768837

>  <Formula>
C26H31F3N6O2S

>  <Molecular Weight>
548.629000

>  <IUPAC Name>
N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[2-propan-2-yl-6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC(C)C1=NC2=C(C=C(C=C2)C(F)(F)F)C(=N1)NCC(=O)NC3CN(C3)C4CCC(CC4)(C5=CN=CS5)O

>  <Isomeric SMILES>
CC(C)C1=NC2=C(C=C(C=C2)C(F)(F)F)C(=N1)NCC(=O)NC3CN(C3)C4CCC(CC4)(C5=CN=CS5)O

>  <InChI Std. ID>
InChI=1S/C26H31F3N6O2S/c1-15(2)23-33-20-4-3-16(26(27,28)29)9-19(20)24(34-23)31-11-22(36)32-17-12-35(13-17)18-5-7-25(37,8-6-18)21-10-30-14-38-21/h3-4,9-10,14-15,17-18,37H,5-8,11-13H2,1-2H3,(H,32,36)(H,31,33,34)

>  <InChI Key>
FRIUIPFFUUXNHO-UHFFFAOYSA-N

