
 CHEMBL2315931

 62 66  0  0  0  0  0  0  0  0999 V2000
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    1.2423    1.9048   -2.0256 H   0  0  0  0  0
    1.6400    1.8416   -0.3251 H   0  0  0  0  0
    2.7759   -0.0053   -1.3699 H   0  0  0  0  0
    1.7349    0.7968   -3.8679 H   0  0  0  0  0
    0.1577   -2.4211   -5.8609 H   0  0  0  0  0
   -0.0424   -3.7496   -3.7576 H   0  0  0  0  0
    0.6677   -2.7396   -1.6365 H   0  0  0  0  0
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  -13.3482    3.4620   -0.7731 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 37  1  0  0  0
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  2 39  1  0  0  0
  3  4  1  0  0  0
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  5 44  1  0  0  0
  6  7  1  0  0  0
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 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315931

>  <PubChem CID>
54772203

>  <Formula>
C25H27F3N6O

>  <Molecular Weight>
484.527000

>  <IUPAC Name>
N-[1-(4-pyridin-3-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=CN=CC=C2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C2=CN=CC=C2)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)18-5-8-22-21(10-18)24(32-15-31-22)30-12-23(35)33-19-13-34(14-19)20-6-3-16(4-7-20)17-2-1-9-29-11-17/h1-2,5,8-11,15-16,19-20H,3-4,6-7,12-14H2,(H,33,35)(H,30,31,32)

>  <InChI Key>
QAERCTROONLUNY-UHFFFAOYSA-N

