
 BDBM195746

 61 64  0  0  0  0  0  0  0  0999 V2000
    2.4793    0.8970   -2.9028 C   0  0  0  0  0
    2.5371    1.1845   -1.4019 C   0  0  0  0  0
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    4.6542    2.6210   -0.0827 N   0  0  0  0  0
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    6.6948    2.6395    1.1823 C   0  0  0  0  0
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    8.1093    4.5669    1.0114 N   0  0  0  0  0
    6.9417    5.4472    1.0094 C   0  0  0  0  0
    5.7334    4.7709    0.3444 C   0  0  0  0  0
    9.0089    4.6732   -0.0561 C   0  0  0  0  0
    8.8699    5.4821   -0.9725 O   0  0  0  0  0
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   13.4114    1.1454   -0.4293 O   0  0  0  0  0
   14.3608    0.9982    0.6139 C   0  0  0  0  0
   13.7934    0.4667    1.7179 F   0  0  0  0  0
   15.3353    0.1593    0.1985 F   0  0  0  0  0
   14.9301    2.1822    0.9252 F   0  0  0  0  0
    6.6875    1.1616    1.2011 C   0  0  0  0  0
    7.4786    0.5404    1.9050 O   0  0  0  0  0
    5.7829    0.6203    0.3207 N   0  0  0  0  0
    5.7896   -0.7821    0.1524 O   0  0  0  0  0
    6.8636   -1.1173   -0.7310 C   0  0  0  0  0
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    1.5469    1.2726   -3.3387 H   0  0  0  0  0
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    2.5433    2.2773   -1.2996 H   0  0  0  0  0
    1.5303   -1.4137   -1.3207 H   0  0  0  0  0
   -0.5072   -2.2033   -0.2093 H   0  0  0  0  0
   -1.2337    1.7722    1.2997 H   0  0  0  0  0
    0.8131    2.5654    0.1970 H   0  0  0  0  0
    3.7984   -0.3924   -0.7601 H   0  0  0  0  0
    7.7236    3.5758    2.8087 H   0  0  0  0  0
    8.7617    2.6682    1.7033 H   0  0  0  0  0
    7.1669    6.3936    0.5053 H   0  0  0  0  0
    6.7131    5.6867    2.0550 H   0  0  0  0  0
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   12.6252    2.4983    1.8814 H   0  0  0  0  0
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    6.8326   -0.5046   -1.6388 H   0  0  0  0  0
    6.7612   -2.1672   -1.0167 H   0  0  0  0  0
    7.8285   -0.9916   -0.2293 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
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  2 13  1  0  0  0
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  3  4  2  0  0  0
  3  8  1  0  0  0
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  5 45  1  0  0  0
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  6  9  1  0  0  0
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  7 46  1  0  0  0
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  9 11  1  0  0  0
  9 10  1  0  0  0
 13 14  1  0  0  0
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 39 61  1  0  0  0
M  END

>  <Chemical Name>
BDBM195746

>  <PubChem CID>
122197734

>  <Formula>
C25H22F6N4O4

>  <Molecular Weight>
556.465000

>  <IUPAC Name>
3-methoxy-6-[4-(trifluoromethoxy)benzoyl]-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)OC(F)(F)F)C(=O)N2OC

>  <Isomeric SMILES>
C[C@H](C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)OC(F)(F)F)C(=O)N2OC

>  <InChI Std. ID>
InChI=1S/C25H22F6N4O4/c1-14(15-3-7-17(8-4-15)24(26,27)28)32-23-33-20-11-12-34(13-19(20)22(37)35(23)38-2)21(36)16-5-9-18(10-6-16)39-25(29,30)31/h3-10,14H,11-13H2,1-2H3,(H,32,33)/t14-/m1/s1

>  <InChI Key>
OAKGSJNBUNMMMG-CQSZACIVSA-N

