
 CHEMBL2315932

 63 67  0  0  0  0  0  0  0  0999 V2000
    1.7289    0.6167    1.6784 C   0  0  0  0  0
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    1.9205   -3.8938    4.2002 C   0  0  0  0  0
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  -10.8530    6.2067    0.7253 C   0  0  0  0  0
  -10.6052    7.1896    1.6341 F   0  0  0  0  0
  -11.7357    6.7350   -0.1664 F   0  0  0  0  0
  -11.5343    5.2386    1.3977 F   0  0  0  0  0
    1.9971    1.3293    0.8864 H   0  0  0  0  0
    2.2681    0.9561    2.5686 H   0  0  0  0  0
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   -0.3466    1.0353   -0.1052 H   0  0  0  0  0
   -0.4446   -1.8753    0.7991 H   0  0  0  0  0
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    1.6797   -2.1413   -0.4134 H   0  0  0  0  0
    1.6968   -0.4422   -0.8341 H   0  0  0  0  0
    3.2393   -0.7439    0.9908 H   0  0  0  0  0
    1.4728   -5.0912    2.4572 H   0  0  0  0  0
    2.4145   -2.4093    5.6683 H   0  0  0  0  0
    2.5875   -0.5961    4.0101 H   0  0  0  0  0
    1.6283   -5.7187    4.6922 H   0  0  0  0  0
   -1.9847   -0.6084    2.7755 H   0  0  0  0  0
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   -7.0604    6.7993   -1.9348 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  5 45  1  0  0  0
  6  7  1  0  0  0
  6 46  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 47  1  0  0  0
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 24 25  1  0  0  0
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 28 29  1  0  0  0
 29 30  2  0  0  0
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 30 31  1  0  0  0
 30 33  1  0  0  0
 31 32  2  0  0  0
 31 62  1  0  0  0
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 33 36  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315932

>  <PubChem CID>
54772204

>  <Formula>
C25H27F3N6O2

>  <Molecular Weight>
500.526000

>  <IUPAC Name>
N-[1-[4-(5-hydroxypyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CC(CCC1C2=NC=C(C=C2)O)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C2=NC=C(C=C2)O)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H27F3N6O2/c26-25(27,28)16-3-7-22-20(9-16)24(32-14-31-22)30-11-23(36)33-17-12-34(13-17)18-4-1-15(2-5-18)21-8-6-19(35)10-29-21/h3,6-10,14-15,17-18,35H,1-2,4-5,11-13H2,(H,33,36)(H,30,31,32)

>  <InChI Key>
HCMNHKKXBRMTLE-UHFFFAOYSA-N

