
 SCHEMBL9999295

 56 59  0  0  0  0  0  0  0  0999 V2000
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    2.1329   -0.8318   -1.4164 F   0  0  0  0  0
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  -13.5330    4.8056    1.6002 F   0  0  0  0  0
  -14.6558    2.9466    1.6948 F   0  0  0  0  0
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    1.5832    0.8452    1.8581 H   0  0  0  0  0
    2.0768   -0.5631    0.9423 H   0  0  0  0  0
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    0.9845    3.0007   -1.2354 H   0  0  0  0  0
    0.9409    3.0607    0.5203 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL9999295

>  <PubChem CID>
86660466

>  <Formula>
C21H23F6N5O

>  <Molecular Weight>
475.439000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CC(CCC1C(F)(F)F)N2CC(C2)NC(=O)CNC3=NC=NC4=C3C=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C(F)(F)F)N2CC(C2)NC(=O)CNC3=NC=NC4=C3C=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H23F6N5O/c22-20(23,24)12-1-4-15(5-2-12)32-9-14(10-32)31-18(33)8-28-19-16-7-13(21(25,26)27)3-6-17(16)29-11-30-19/h3,6-7,11-12,14-15H,1-2,4-5,8-10H2,(H,31,33)(H,28,29,30)

>  <InChI Key>
WYZXXEVTIGVJHZ-UHFFFAOYSA-N

