
 CHEMBL2315935

 64 68  0  0  0  0  0  0  0  0999 V2000
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 33 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315935

>  <PubChem CID>
54772205

>  <Formula>
C26H28F3N5O2

>  <Molecular Weight>
499.538000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CC(CCC1C2=CC=CC=C2O)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C2=CC=CC=C2O)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H28F3N5O2/c27-26(28,29)17-7-10-22-21(11-17)25(32-15-31-22)30-12-24(36)33-18-13-34(14-18)19-8-5-16(6-9-19)20-3-1-2-4-23(20)35/h1-4,7,10-11,15-16,18-19,35H,5-6,8-9,12-14H2,(H,33,36)(H,30,31,32)

>  <InChI Key>
ZSIJRKFDESNGJM-UHFFFAOYSA-N

