
 CHEMBL2153465

 68 72  0  0  0  0  0  0  0  0999 V2000
    2.7740    1.8074    1.4070 C   0  0  0  0  0
    2.3825    2.9931    0.5204 C   0  0  0  0  0
    1.1038    3.7041    0.9367 C   0  0  0  0  0
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   -6.3352    7.3504    2.8971 F   0  0  0  0  0
   -6.1610    6.1517    0.3800 C   0  0  0  0  0
   -7.2554    5.5071    0.8699 F   0  0  0  0  0
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    3.4850    3.9393    0.4446 N   0  0  0  0  0
    4.4762    3.8184   -0.5091 C   0  0  0  0  0
    4.4426    2.9325   -1.3638 O   0  0  0  0  0
    5.6558    4.8277   -0.4066 C   0  0  0  0  0
    6.3547    4.8922   -1.7899 C   0  0  0  0  0
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    6.6789    4.3425    0.6382 C   0  0  0  0  0
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    8.6623    3.3813    2.5044 C   0  0  0  0  0
    8.2596    2.6214    1.3949 C   0  0  0  0  0
    7.2904    3.0858    0.4901 C   0  0  0  0  0
    9.6867    2.9209    3.4839 C   0  0  0  0  0
    9.9163    3.7623    4.5268 N   0  0  0  0  0
   10.8081    3.4566    5.4718 C   0  0  0  0  0
   11.5351    2.2556    5.4191 C   0  0  0  0  0
   12.4604    1.9664    6.4335 C   0  0  0  0  0
   12.6414    2.8719    7.4671 C   0  0  0  0  0
   11.8881    4.0275    7.4396 C   0  0  0  0  0
   10.9913    4.3220    6.4722 N   0  0  0  0  0
   11.3126    1.3820    4.3523 C   0  0  0  0  0
   10.3812    1.7193    3.3758 C   0  0  0  0  0
    3.6298    1.2729    0.9797 H   0  0  0  0  0
    1.9470    1.0963    1.5057 H   0  0  0  0  0
    3.0721    2.1310    2.4106 H   0  0  0  0  0
    2.2089    2.5801   -0.4824 H   0  0  0  0  0
    0.6730    4.3591   -1.0796 H   0  0  0  0  0
   -1.4239    5.4665   -0.5261 H   0  0  0  0  0
   -0.9144    4.3266    3.6059 H   0  0  0  0  0
    1.1997    3.2800    3.0617 H   0  0  0  0  0
   -3.6615    5.0639    0.0727 H   0  0  0  0  0
   -4.2639    7.3323    4.4387 H   0  0  0  0  0
   -2.0792    6.3426    3.8840 H   0  0  0  0  0
    3.6347    4.5401    1.2429 H   0  0  0  0  0
    6.7350    3.9186   -2.1191 H   0  0  0  0  0
    7.2036    5.5860   -1.7752 H   0  0  0  0  0
    5.6558    5.2317   -2.5645 H   0  0  0  0  0
    4.6454    6.3499    0.8417 H   0  0  0  0  0
    4.3298    6.5058   -0.8834 H   0  0  0  0  0
    5.8929    7.0037   -0.2204 H   0  0  0  0  0
    6.6546    6.0929    1.9324 H   0  0  0  0  0
    8.3006    5.2744    3.4915 H   0  0  0  0  0
    8.6869    1.6433    1.1939 H   0  0  0  0  0
    7.0265    2.4412   -0.3489 H   0  0  0  0  0
   13.0351    1.0444    6.4198 H   0  0  0  0  0
   13.3480    2.6837    8.2675 H   0  0  0  0  0
   11.9835    4.7784    8.2197 H   0  0  0  0  0
   11.8562    0.4443    4.2743 H   0  0  0  0  0
   10.2218    1.0330    2.5532 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  2 45  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 46  1  0  0  0
  5  6  2  0  0  0
  5 47  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 48  1  0  0  0
  8 49  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
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 13 51  1  0  0  0
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 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 23  1  0  0  0
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 23 26  1  0  0  0
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 24 56  1  0  0  0
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 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
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 28 29  2  0  0  0
 28 61  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
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 31 63  1  0  0  0
 32 41  1  0  0  0
 32 33  2  0  0  0
 33 34  1  0  0  0
 34 35  2  0  0  0
 34 39  1  0  0  0
 35 40  1  0  0  0
 35 36  1  0  0  0
 36 37  2  0  0  0
 36 64  1  0  0  0
 37 38  1  0  0  0
 37 65  1  0  0  0
 38 39  2  0  0  0
 38 66  1  0  0  0
 40 41  2  0  0  0
 40 67  1  0  0  0
 41 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153465

>  <PubChem CID>
71453124

>  <Formula>
C33H27F4N3O

>  <Molecular Weight>
557.593000

>  <IUPAC Name>
N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)C(C)(C)C3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)C(C)(C)C3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4

>  <InChI Std. ID>
InChI=1S/C33H27F4N3O/c1-20(21-6-8-22(9-7-21)25-12-16-28(34)27(19-25)33(35,36)37)39-31(41)32(2,3)26-14-10-23(11-15-26)29-17-13-24-5-4-18-38-30(24)40-29/h4-20H,1-3H3,(H,39,41)/t20-/m0/s1

>  <InChI Key>
ISVZRDQQFCTPRG-FQEVSTJZSA-N

