
 SCHEMBL9999169

 53 56  0  0  0  0  0  0  0  0999 V2000
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   -2.4331   -2.0522    2.8572 N   0  0  0  0  0
   -2.1360   -3.3683    3.4959 C   0  0  0  0  0
   -0.7592   -2.7964    3.9138 C   0  0  0  0  0
   -0.9614   -1.8469    2.7117 C   0  0  0  0  0
   -0.7551   -2.1304    5.2420 N   0  0  0  0  0
    0.4142   -1.7484    5.8678 C   0  0  0  0  0
    1.5311   -1.9463    5.3879 O   0  0  0  0  0
    0.2133   -1.1577    7.2684 C   0  0  0  0  0
    1.4406   -0.5153    7.7590 N   0  0  0  0  0
    1.5744    0.8598    7.4664 C   0  0  0  0  0
    0.5831    1.4848    6.8096 N   0  0  0  0  0
    0.7495    2.7918    6.5782 C   0  0  0  0  0
    1.7964    3.5378    6.9472 N   0  0  0  0  0
    2.7694    2.9116    7.6129 C   0  0  0  0  0
    2.7251    1.5434    7.9128 C   0  0  0  0  0
    3.7973    0.9549    8.6377 C   0  0  0  0  0
    4.9045    1.7075    9.0507 C   0  0  0  0  0
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   -6.4484   -1.7131    2.3717 H   0  0  0  0  0
   -5.0702   -1.2088    3.3415 H   0  0  0  0  0
   -4.6861   -3.4650    2.4059 H   0  0  0  0  0
   -5.0060   -2.8854    0.7830 H   0  0  0  0  0
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    0.0020   -2.0064    7.9295 H   0  0  0  0  0
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    2.2475   -0.9946    7.3503 H   0  0  0  0  0
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    5.7686    3.6903    9.0471 H   0  0  0  0  0
    3.9040    4.7134    7.8045 H   0  0  0  0  0
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  5 38  1  0  0  0
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  7 10  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL9999169

>  <PubChem CID>
68004045

>  <Formula>
C20H24F3N5O

>  <Molecular Weight>
407.441000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCC(CC1)N2CC(C2)NC(=O)CNC3=NC=NC4=C3C=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CCC(CC1)N2CC(C2)NC(=O)CNC3=NC=NC4=C3C=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H24F3N5O/c21-20(22,23)13-6-7-17-16(8-13)19(26-12-25-17)24-9-18(29)27-14-10-28(11-14)15-4-2-1-3-5-15/h6-8,12,14-15H,1-5,9-11H2,(H,27,29)(H,24,25,26)

>  <InChI Key>
YFUBWFFAQAZXSK-UHFFFAOYSA-N

