
 CHEMBL2315934

 62 66  0  0  0  0  0  0  0  0999 V2000
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    0.8841    1.7546   -2.0560 H   0  0  0  0  0
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    2.5486    0.0130   -1.2258 H   0  0  0  0  0
    2.4702    0.3075   -3.7062 H   0  0  0  0  0
    1.9104   -0.8898   -5.8086 H   0  0  0  0  0
    0.2567   -2.7626   -5.7410 H   0  0  0  0  0
   -0.7710   -3.3493   -3.5417 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2315934

>  <PubChem CID>
54771980

>  <Formula>
C25H27F3N6O

>  <Molecular Weight>
484.527000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CC(CCC1C2=CC=CC=N2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C2=CC=CC=N2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H27F3N6O/c26-25(27,28)17-6-9-22-20(11-17)24(32-15-31-22)30-12-23(35)33-18-13-34(14-18)19-7-4-16(5-8-19)21-3-1-2-10-29-21/h1-3,6,9-11,15-16,18-19H,4-5,7-8,12-14H2,(H,33,35)(H,30,31,32)

>  <InChI Key>
ZTXJUGRGUSXVNX-UHFFFAOYSA-N

