
 SCHEMBL9999182

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9999182

>  <PubChem CID>
88547525

>  <Formula>
C23H29F3N6O3

>  <Molecular Weight>
494.519000

>  <IUPAC Name>
N-methoxy-N-methyl-4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

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

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

>  <InChI Std. ID>
InChI=1S/C23H29F3N6O3/c1-31(35-2)22(34)14-3-6-17(7-4-14)32-11-16(12-32)30-20(33)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17H,3-4,6-7,10-12H2,1-2H3,(H,30,33)(H,27,28,29)

>  <InChI Key>
SSTHLGCFEVCVCK-UHFFFAOYSA-N

