
 SCHEMBL9999220

 66 69  0  0  0  0  0  0  0  0999 V2000
    3.1062    0.7492   -4.1879 C   0  0  0  0  0
    3.3196    2.1090   -4.8544 C   0  0  0  0  0
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    0.9849    5.7063   -2.6985 C   0  0  0  0  0
    0.6219    4.2305   -2.8440 C   0  0  0  0  0
    1.4798    5.4908   -0.2329 N   0  0  0  0  0
    2.1751    6.1699    0.8900 C   0  0  0  0  0
    1.0084    7.1755    1.0039 C   0  0  0  0  0
    0.2157    6.1439    0.1796 C   0  0  0  0  0
    0.4968    7.4190    2.3724 N   0  0  0  0  0
   -0.8149    7.7987    2.5981 C   0  0  0  0  0
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   -3.9875    8.9772    8.0026 N   0  0  0  0  0
   -4.8753    8.7707    7.0276 C   0  0  0  0  0
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   -7.9542    8.1746    4.0151 C   0  0  0  0  0
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   -8.6732    9.3121    3.8034 F   0  0  0  0  0
   -7.4757    7.8039    2.7962 F   0  0  0  0  0
    2.5666    4.4024   -5.0797 O   0  0  0  0  0
    3.1737    0.8218   -3.0983 H   0  0  0  0  0
    3.8747    0.0364   -4.5068 H   0  0  0  0  0
    2.1283    0.3291   -4.4453 H   0  0  0  0  0
    4.2882    2.5075   -4.5281 H   0  0  0  0  0
    2.4859    1.5153   -6.7846 H   0  0  0  0  0
    4.2233    1.2114   -6.6240 H   0  0  0  0  0
    3.6392    2.8577   -6.8844 H   0  0  0  0  0
    1.2983    2.8231   -5.0507 H   0  0  0  0  0
    1.4836    2.2998   -2.7052 H   0  0  0  0  0
    3.9325    3.1817   -2.4052 H   0  0  0  0  0
    2.7849    3.2374   -1.0986 H   0  0  0  0  0
    4.0235    5.3041   -1.1310 H   0  0  0  0  0
    3.6900    5.5763   -2.8240 H   0  0  0  0  0
    2.2179    7.0258   -1.5284 H   0  0  0  0  0
    0.0709    6.2941   -2.5706 H   0  0  0  0  0
    1.4234    6.0767   -3.6327 H   0  0  0  0  0
    0.0693    3.9148   -1.9497 H   0  0  0  0  0
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    3.1520    6.6153    0.6734 H   0  0  0  0  0
    2.2956    5.5171    1.7641 H   0  0  0  0  0
    1.1945    8.1172    0.4724 H   0  0  0  0  0
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   -1.9770    8.9695    8.4764 H   0  0  0  0  0
   -5.2405    7.8945    3.7399 H   0  0  0  0  0
   -8.2632    8.8677    6.6386 H   0  0  0  0  0
   -6.5099    9.2012    8.3346 H   0  0  0  0  0
    3.4729    4.6063   -4.7981 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL9999220

>  <PubChem CID>
54769954

>  <Formula>
C24H32F3N5O2

>  <Molecular Weight>
479.548000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C24H32F3N5O2/c1-14(2)22(34)15-3-6-18(7-4-15)32-11-17(12-32)31-21(33)10-28-23-19-9-16(24(25,26)27)5-8-20(19)29-13-30-23/h5,8-9,13-15,17-18,22,34H,3-4,6-7,10-12H2,1-2H3,(H,31,33)(H,28,29,30)

>  <InChI Key>
VDQZYRCKECVTGJ-UHFFFAOYSA-N

