
 SCHEMBL9999319

 63 66  0  0  0  0  0  0  0  0999 V2000
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    6.7071    5.3185   -0.4253 N   0  0  0  0  0
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    8.7573    5.0519    0.0641 C   0  0  0  0  0
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    9.5401    6.0818   -0.6657 N   0  0  0  0  0
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   13.4182    6.4884   -2.8008 C   0  0  0  0  0
   12.5053    6.0033   -3.6579 N   0  0  0  0  0
   12.9771    5.3939   -4.7518 C   0  0  0  0  0
   14.2637    5.2335   -5.0815 N   0  0  0  0  0
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   19.1331    6.4151   -1.2183 F   0  0  0  0  0
   19.0233    8.2978   -2.2997 F   0  0  0  0  0
   17.7905    7.9830   -0.5371 F   0  0  0  0  0
   -0.5662   10.1548   -3.1278 H   0  0  0  0  0
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   -0.8513    8.7518   -2.0804 H   0  0  0  0  0
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    1.3279    7.6072   -1.3545 H   0  0  0  0  0
    2.3953    5.4021   -1.3546 H   0  0  0  0  0
    3.1679    7.3518   -0.0219 H   0  0  0  0  0
    4.7074    7.3574   -0.8608 H   0  0  0  0  0
    4.8968    6.2515    1.3469 H   0  0  0  0  0
    3.5867    5.1601    0.9499 H   0  0  0  0  0
    5.5849    3.8873    0.6808 H   0  0  0  0  0
    5.4628    3.3035   -1.7862 H   0  0  0  0  0
    3.9243    3.3922   -0.9584 H   0  0  0  0  0
    5.1056    5.5534   -2.7739 H   0  0  0  0  0
    3.7850    4.4615   -3.1603 H   0  0  0  0  0
    7.2499    5.0107    1.6939 H   0  0  0  0  0
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   18.5587    6.0209   -4.0146 H   0  0  0  0  0
   16.7921    5.1111   -5.4700 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL9999319

>  <PubChem CID>
54769306

>  <Formula>
C23H29F3N6O2

>  <Molecular Weight>
478.520000

>  <IUPAC Name>
N-ethyl-4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C23H29F3N6O2/c1-2-27-22(34)14-3-6-17(7-4-14)32-11-16(12-32)31-20(33)10-28-21-18-9-15(23(24,25)26)5-8-19(18)29-13-30-21/h5,8-9,13-14,16-17H,2-4,6-7,10-12H2,1H3,(H,27,34)(H,31,33)(H,28,29,30)

>  <InChI Key>
LTFZAEGSTMTPGB-UHFFFAOYSA-N

