
 CHEMBL3105213

 45 49  0  0  0  0  0  0  0  0999 V2000
   -1.2259    1.8810   -1.9486 C   0  0  0  0  0
   -1.8893    0.9237   -0.9778 C   0  0  0  0  0
   -1.0968   -0.3094   -1.0318 N   0  0  0  0  0
    0.1860   -0.0780   -1.7288 C   0  0  0  0  0
    0.1241    1.3732   -2.0069 N   0  0  0  0  0
    1.1565    2.0805   -1.4239 C   0  0  0  0  0
    1.2810    3.2890   -1.3417 O   0  0  0  0  0
    2.0195    1.1121   -0.7561 C   0  0  0  0  0
    3.1727    1.3681   -0.0310 C   0  0  0  0  0
    3.7686    0.2967    0.6291 C   0  0  0  0  0
    3.1892   -0.9790    0.5683 C   0  0  0  0  0
    2.0137   -1.2028   -0.1617 C   0  0  0  0  0
    1.4249   -0.1468   -0.8482 C   0  0  0  0  0
    0.3057   -0.8452   -3.0773 C   0  0  0  0  0
   -0.0015   -0.2364   -4.3156 C   0  0  0  0  0
    0.1000   -0.9275   -5.5301 C   0  0  0  0  0
    0.5208   -2.2498   -5.5403 C   0  0  0  0  0
    0.8360   -2.8835   -4.3465 C   0  0  0  0  0
    0.7252   -2.1891   -3.1342 C   0  0  0  0  0
    0.6537   -3.0991   -7.0290 Cl  0  0  0  0  0
   -1.4536   -1.5353   -0.5009 C   0  0  0  0  0
   -0.7472   -2.5382   -0.5642 O   0  0  0  0  0
   -2.7738   -1.7270    0.1578 C   0  0  0  0  0
   -3.2832   -0.8570    1.1252 C   0  0  0  0  0
   -4.5160   -1.1331    1.7138 C   0  0  0  0  0
   -5.2226   -2.2842    1.3839 C   0  0  0  0  0
   -4.7050   -3.1828    0.4602 C   0  0  0  0  0
   -3.4808   -2.9039   -0.1528 C   0  0  0  0  0
   -6.4007   -2.5440    1.9664 F   0  0  0  0  0
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   -1.2766    2.9230   -1.6196 H   0  0  0  0  0
   -1.6773    1.7958   -2.9408 H   0  0  0  0  0
   -2.9411    0.7427   -1.2142 H   0  0  0  0  0
   -1.8023    1.3263    0.0365 H   0  0  0  0  0
    3.5835    2.3707    0.0296 H   0  0  0  0  0
    4.6768    0.4501    1.2071 H   0  0  0  0  0
    3.6545   -1.8069    1.1005 H   0  0  0  0  0
    1.5862   -2.2003   -0.1687 H   0  0  0  0  0
   -0.3118    0.8034   -4.3710 H   0  0  0  0  0
   -0.1452   -0.4202   -6.4596 H   0  0  0  0  0
    1.1678   -3.9185   -4.3425 H   0  0  0  0  0
    0.9728   -2.7380   -2.2307 H   0  0  0  0  0
   -2.7379    0.0159    1.4616 H   0  0  0  0  0
   -5.2475   -4.0945    0.2289 H   0  0  0  0  0
   -3.0654   -3.6160   -0.8654 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3105213

>  <PubChem CID>
71598549

>  <Formula>
C23H15ClF2N2O2

>  <Molecular Weight>
424.832000

>  <IUPAC Name>
9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC(=C(C=C5)F)F

>  <Isomeric SMILES>
C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC(=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2

>  <InChI Key>
GXBAKXRLQAPKEE-UHFFFAOYSA-N

