
 SCHEMBL9999217

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9999217

>  <PubChem CID>
68004065

>  <Formula>
C24H29F5N6O

>  <Molecular Weight>
512.529000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CC(CCC1N2CCC(C2)(F)F)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1N2CCC(C2)(F)F)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H29F5N6O/c25-23(26)7-8-34(13-23)17-2-4-18(5-3-17)35-11-16(12-35)33-21(36)10-30-22-19-9-15(24(27,28)29)1-6-20(19)31-14-32-22/h1,6,9,14,16-18H,2-5,7-8,10-13H2,(H,33,36)(H,30,31,32)

>  <InChI Key>
RVODGPORSRYQGF-UHFFFAOYSA-N

