
 SCHEMBL9999089

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9999089

>  <PubChem CID>
54772207

>  <Formula>
C25H28F3N7O

>  <Molecular Weight>
499.542000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CC(CCC1C2=NC=C(C=C2)N)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C2=NC=C(C=C2)N)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H28F3N7O/c26-25(27,28)16-3-7-22-20(9-16)24(33-14-32-22)31-11-23(36)34-18-12-35(13-18)19-5-1-15(2-6-19)21-8-4-17(29)10-30-21/h3-4,7-10,14-15,18-19H,1-2,5-6,11-13,29H2,(H,34,36)(H,31,32,33)

>  <InChI Key>
FUAYIRBDAPBFDO-UHFFFAOYSA-N

