
 CHEMBL2153460

 59 63  0  0  0  0  0  0  0  0999 V2000
   -3.2617   -4.1468    8.7819 C   0  0  0  0  0
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   -8.9344   -1.4808   -1.6577 O   0  0  0  0  0
   -9.3089   -3.3083   -0.3275 N   0  0  0  0  0
  -10.7207   -3.0510   -0.1790 C   0  0  0  0  0
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  -14.1963   -8.0223    2.6260 C   0  0  0  0  0
  -14.8541  -10.2075    5.4431 F   0  0  0  0  0
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   -4.7979   -5.6426    8.9638 H   0  0  0  0  0
   -2.9459   -1.3366    3.7344 H   0  0  0  0  0
   -1.9186   -1.5071    5.9676 H   0  0  0  0  0
   -4.8647   -0.7076    2.4633 H   0  0  0  0  0
   -5.9465   -0.7224    0.2747 H   0  0  0  0  0
   -6.6383   -4.9647    0.6447 H   0  0  0  0  0
   -5.5750   -4.9445    2.8474 H   0  0  0  0  0
   -6.9528   -3.8342   -1.5356 H   0  0  0  0  0
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  -15.6008   -9.6133    3.0432 H   0  0  0  0  0
  -14.6166   -7.8448    1.6377 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 43  1  0  0  0
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 35 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153460

>  <PubChem CID>
71462031

>  <Formula>
C30H21F4N3O

>  <Molecular Weight>
515.512000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)C3=CC=C(C=C3)CC(=O)NCC4=CC=C(C=C4)C5=CC(=C(C=C5)F)C(F)(F)F

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C=C2)C3=CC=C(C=C3)CC(=O)NCC4=CC=C(C=C4)C5=CC(=C(C=C5)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H21F4N3O/c31-26-13-11-24(17-25(26)30(32,33)34)21-7-5-20(6-8-21)18-36-28(38)16-19-3-9-22(10-4-19)27-14-12-23-2-1-15-35-29(23)37-27/h1-15,17H,16,18H2,(H,36,38)

>  <InChI Key>
HHRYPESKSYSREM-UHFFFAOYSA-N

