
 CHEMBL374251

 60 65  0  0  0  0  0  0  0  0999 V2000
    4.0791   -2.5919   -3.1650 C   0  0  0  0  0
    3.2151   -2.4612   -2.0090 N   0  0  0  0  0
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    1.9422   -3.3568  -11.5978 C   0  0  0  0  0
    0.7961   -3.9354  -11.2074 N   0  0  0  0  0
    0.6181   -5.2413  -11.4710 C   0  0  0  0  0
    1.5574   -6.0202  -12.0946 C   0  0  0  0  0
    2.7232   -5.3792  -12.4594 C   0  0  0  0  0
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    3.5312   -7.4683  -13.3515 F   0  0  0  0  0
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    4.7883   -3.4112   -3.0206 H   0  0  0  0  0
    4.6383   -1.6633   -3.3039 H   0  0  0  0  0
    2.3836   -3.0862    0.9946 H   0  0  0  0  0
    2.0034    0.6421   -1.3279 H   0  0  0  0  0
    3.6615    0.0836   -1.7015 H   0  0  0  0  0
    0.0358   -1.3780   -2.6147 H   0  0  0  0  0
    1.0109   -2.6411   -3.4235 H   0  0  0  0  0
    0.4516   -1.2326   -5.7729 H   0  0  0  0  0
    3.0090    2.2571   -6.0572 H   0  0  0  0  0
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    0.7288   -0.1572   -7.8162 H   0  0  0  0  0
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    5.8682   -0.5890  -13.7941 H   0  0  0  0  0
    4.3439   -2.4287  -13.1992 H   0  0  0  0  0
   -0.3347   -5.6523  -11.1486 H   0  0  0  0  0
    1.3862   -7.0739  -12.2777 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 16  1  0  0  0
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 11 13  1  0  0  0
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 32 33  1  0  0  0
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 34 35  1  0  0  0
 34 60  1  0  0  0
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 37 40  1  0  0  0
 37 39  1  0  0  0
 37 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL374251

>  <PubChem CID>
44420250

>  <Formula>
C26H20F3N7O4

>  <Molecular Weight>
551.486000

>  <IUPAC Name>
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazol-1-yl]acetamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN1C(=O)NC(=O)C12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5N(C4=O)C6=NC=CC(=N6)C(F)(F)F

>  <Isomeric SMILES>
CN1C(=O)NC(=O)[C@]12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5N(C4=O)C6=NC=CC(=N6)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H20F3N7O4/c1-34-23(39)33-21(38)25(34)11-14-6-7-16(10-15(14)12-25)31-20(37)13-35-17-4-2-3-5-18(17)36(24(35)40)22-30-9-8-19(32-22)26(27,28)29/h2-10H,11-13H2,1H3,(H,31,37)(H,33,38,39)/t25-/m1/s1

>  <InChI Key>
CBYMKRJSUMRSHK-RUZDIDTESA-N

