
 CHEMBL2322443

 66 72  0  0  0  0  0  0  0  0999 V2000
    2.7023   -1.1121    0.6636 C   0  0  0  0  0
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    6.4201    7.9218   -0.7186 F   0  0  0  0  0
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    6.9249    8.4019   -3.2055 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
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  2  3  1  0  0  0
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  3  4  2  0  0  0
  3  7  1  0  0  0
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  5 32  1  0  0  0
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 39 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2322443

>  <PubChem CID>
71521301

>  <Formula>
C31H26FN7O

>  <Molecular Weight>
531.595000

>  <IUPAC Name>
2-ethyl-5-[(2-fluorophenyl)methyl]-3-[(1S)-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-c]pyridin-4-one

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NC2=C(N1C3CCC4=C3C=CC(=C4)C5=CC=CC=C5C6=NNN=N6)C(=O)N(C=C2)CC7=CC=CC=C7F

>  <Isomeric SMILES>
CCC1=NC2=C(N1[C@H]3CCC4=C3C=CC(=C4)C5=CC=CC=C5C6=NNN=N6)C(=O)N(C=C2)CC7=CC=CC=C7F

>  <InChI Std. ID>
InChI=1S/C31H26FN7O/c1-2-28-33-26-15-16-38(18-21-7-3-6-10-25(21)32)31(40)29(26)39(28)27-14-12-20-17-19(11-13-23(20)27)22-8-4-5-9-24(22)30-34-36-37-35-30/h3-11,13,15-17,27H,2,12,14,18H2,1H3,(H,34,35,36,37)/t27-/m0/s1

>  <InChI Key>
BBYUTVUIMAGYDW-MHZLTWQESA-N

