
 SCHEMBL9999284

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9999284

>  <PubChem CID>
54770831

>  <Formula>
C23H30F3N5O2

>  <Molecular Weight>
465.521000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)(C1CCC(CC1)N2CC(C2)NC(=O)CNC3=NC=NC4=C3C=C(C=C4)C(F)(F)F)O

>  <Isomeric SMILES>
CC(C)(C1CCC(CC1)N2CC(C2)NC(=O)CNC3=NC=NC4=C3C=C(C=C4)C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C23H30F3N5O2/c1-22(2,33)14-3-6-17(7-4-14)31-11-16(12-31)30-20(32)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17,33H,3-4,6-7,10-12H2,1-2H3,(H,30,32)(H,27,28,29)

>  <InChI Key>
VVHDUJMGCXXKHJ-UHFFFAOYSA-N

