
 CHEMBL2010836

 58 61  0  0  0  0  0  0  0  0999 V2000
    0.9073    0.4971   -0.3194 C   0  0  0  0  0
    2.2766    0.0058   -0.2288 N   0  0  0  0  0
    2.4275   -1.4530   -0.4234 C   0  0  0  0  0
    3.0838   -2.1685    0.7651 C   0  0  0  0  0
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    3.2278   -3.3249   -1.9060 C   0  0  0  0  0
    3.1065   -1.8078   -1.7517 C   0  0  0  0  0
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    7.2068   -6.7516    0.5409 C   0  0  0  0  0
    7.6035   -6.3370    1.8203 C   0  0  0  0  0
    7.2510   -5.0503    2.2548 C   0  0  0  0  0
    6.5280   -4.1926    1.4235 C   0  0  0  0  0
    8.3861   -7.2490    2.7309 C   0  0  0  0  0
    9.5587   -6.6920    3.1455 F   0  0  0  0  0
    7.7027   -7.5638    3.8668 F   0  0  0  0  0
    8.7235   -8.4387    2.1582 F   0  0  0  0  0
    3.4052    0.8085   -0.0685 C   0  0  0  0  0
    4.5489    0.3384   -0.0669 O   0  0  0  0  0
    3.2435    2.3123    0.1193 C   0  0  0  0  0
    3.2615    2.7287    1.5721 C   0  0  0  0  0
    4.4796    3.0089    2.2077 C   0  0  0  0  0
    4.5174    3.3983    3.5511 C   0  0  0  0  0
    3.3284    3.4921    4.2843 C   0  0  0  0  0
    2.1090    3.1931    3.6614 C   0  0  0  0  0
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    4.3809    4.3175    6.4222 C   0  0  0  0  0
    3.9471    4.5592    7.6379 N   0  0  0  0  0
    2.6075    4.2760    7.6171 N   0  0  0  0  0
    2.2234    3.8774    6.4127 N   0  0  0  0  0
    0.8054    1.5638   -0.1434 H   0  0  0  0  0
    0.2983   -0.0284    0.4225 H   0  0  0  0  0
    0.5284    0.2775   -1.3222 H   0  0  0  0  0
    1.4061   -1.8578   -0.4846 H   0  0  0  0  0
    2.4759   -2.0163    1.6656 H   0  0  0  0  0
    4.0696   -1.7552    0.9971 H   0  0  0  0  0
    3.6924   -4.1650    1.3333 H   0  0  0  0  0
    2.2043   -4.1041    0.4437 H   0  0  0  0  0
    3.7400   -3.5621   -2.8466 H   0  0  0  0  0
    2.2222   -3.7536   -2.0119 H   0  0  0  0  0
    4.0975   -1.3488   -1.8312 H   0  0  0  0  0
    2.5176   -1.4041   -2.5847 H   0  0  0  0  0
    5.5421   -2.6387   -0.4865 H   0  0  0  0  0
    5.7542   -3.8038   -1.7662 H   0  0  0  0  0
    6.1631   -6.2392   -1.2715 H   0  0  0  0  0
    7.4638   -7.7461    0.1795 H   0  0  0  0  0
    7.5397   -4.7106    3.2483 H   0  0  0  0  0
    6.2641   -3.1992    1.7807 H   0  0  0  0  0
    2.3716    2.7149   -0.3992 H   0  0  0  0  0
    4.0879    2.7893   -0.3987 H   0  0  0  0  0
    5.4145    2.9193    1.6547 H   0  0  0  0  0
    5.4906    3.6000    3.9892 H   0  0  0  0  0
    1.1668    3.2536    4.2044 H   0  0  0  0  0
    1.1155    2.6110    1.8575 H   0  0  0  0  0
    5.3907    4.4521    6.0710 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
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 31 32  1  0  0  0
 32 33  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL2010836

>  <PubChem CID>
56643412

>  <Formula>
C23H25F3N6O

>  <Molecular Weight>
458.489000

>  <IUPAC Name>
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C1CCN(CC1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)CC3=CC=C(C=C3)N4C=NN=N4

>  <Isomeric SMILES>
CN(C1CCN(CC1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)CC3=CC=C(C=C3)N4C=NN=N4

>  <InChI Std. ID>
InChI=1S/C23H25F3N6O/c1-30(22(33)14-17-4-8-21(9-5-17)32-16-27-28-29-32)20-10-12-31(13-11-20)15-18-2-6-19(7-3-18)23(24,25)26/h2-9,16,20H,10-15H2,1H3

>  <InChI Key>
AZRVSANIIWCDJQ-UHFFFAOYSA-N

