
 CHEMBL571046

 45 49  0  0  0  0  0  0  0  0999 V2000
    0.8047    1.1618   -0.3310 C   0  0  0  0  0
   -0.7390    1.0837   -0.4356 C   0  0  0  0  0
   -1.1664   -0.1822   -1.0598 N   0  0  0  0  0
   -0.5659   -1.3638   -0.3991 C   0  0  0  0  0
    0.9677   -1.2282   -0.3245 C   0  0  0  0  0
    1.4648    0.0095    0.3323 N   0  0  0  0  0
    1.1799    0.0206    1.7824 C   0  0  0  0  0
    1.8636   -1.0889    2.5193 C   0  0  0  0  0
    1.2938   -2.0115    3.2690 N   0  0  0  0  0
    2.3144   -2.8141    3.7075 C   0  0  0  0  0
    3.5220   -2.3777    3.2194 C   0  0  0  0  0
    3.2222   -1.2805    2.4604 N   0  0  0  0  0
   -2.4928   -0.3011   -1.4769 C   0  0  0  0  0
   -3.2372   -1.2367   -0.9422 N   0  0  0  0  0
   -4.5782   -1.4075   -1.3311 C   0  0  0  0  0
   -5.2018   -0.6128   -2.3058 C   0  0  0  0  0
   -6.5330   -0.8220   -2.6811 C   0  0  0  0  0
   -7.2540   -1.8436   -2.0624 C   0  0  0  0  0
   -6.6427   -2.6284   -1.0892 C   0  0  0  0  0
   -5.3181   -2.4197   -0.7209 C   0  0  0  0  0
   -7.3443   -3.6061   -0.4997 F   0  0  0  0  0
   -4.3957    0.3847   -2.8801 N   0  0  0  0  0
   -3.0804    0.5477   -2.5021 C   0  0  0  0  0
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    1.3916   -2.1214    0.1478 H   0  0  0  0  0
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    0.1070   -0.0246    1.9974 H   0  0  0  0  0
    1.5458    0.9640    2.2085 H   0  0  0  0  0
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    4.5307   -2.7460    3.3321 H   0  0  0  0  0
    3.8620   -0.7199    1.9140 H   0  0  0  0  0
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   -8.2879   -2.0363   -2.3320 H   0  0  0  0  0
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   -1.5132    1.8807   -3.2807 H   0  0  0  0  0
   -3.4924    2.8235   -4.8698 H   0  0  0  0  0
   -5.6930    1.3651   -4.2876 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
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  2 30  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
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  4 32  1  0  0  0
  5  6  1  0  0  0
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  5 34  1  0  0  0
  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL571046

>  <PubChem CID>
44542076

>  <Formula>
C19H19FN6

>  <Molecular Weight>
350.401000

>  <IUPAC Name>
7-fluoro-4-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=NC=CN2)C3=NC4=C(C=CC(=C4)F)N5C3=CC=C5

>  <Isomeric SMILES>
C1CN(CCN1CC2=NC=CN2)C3=NC4=C(C=CC(=C4)F)N5C3=CC=C5

>  <InChI Std. ID>
InChI=1S/C19H19FN6/c20-14-3-4-16-15(12-14)23-19(17-2-1-7-26(16)17)25-10-8-24(9-11-25)13-18-21-5-6-22-18/h1-7,12H,8-11,13H2,(H,21,22)

>  <InChI Key>
GLAKGIIOQOOKAC-UHFFFAOYSA-N

