
 CHEMBL2431233

 58 62  0  0  0  0  0  0  0  0999 V2000
    4.5544    1.1795    5.2181 C   0  0  0  0  0
    5.5367    1.2965    4.1918 O   0  0  0  0  0
    5.1756    2.1005    3.1403 C   0  0  0  0  0
    6.1767    2.8613    2.5236 C   0  0  0  0  0
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    3.8713    2.1586    2.6506 C   0  0  0  0  0
    2.2391    3.1806    1.0609 C   0  0  0  0  0
    1.9484    4.1382    0.1631 N   0  0  0  0  0
    2.9553    4.9195   -0.2500 C   0  0  0  0  0
    4.2357    4.7974    0.1342 N   0  0  0  0  0
    2.6166    6.1149   -1.1767 C   0  0  0  0  0
    3.4742    6.3382   -2.4549 C   0  0  0  0  0
    2.2016    6.8894   -3.1264 C   0  0  0  0  0
    1.3975    6.0237   -2.1372 C   0  0  0  0  0
    1.2212    2.2732    1.4579 N   0  0  0  0  0
    1.2886    1.0547    0.6036 C   0  0  0  0  0
    0.2113    0.0208    1.0220 C   0  0  0  0  0
   -1.1391    0.6392    1.0379 N   0  0  0  0  0
   -1.1823    1.8551    1.8878 C   0  0  0  0  0
   -0.1325    2.8802    1.3978 C   0  0  0  0  0
   -2.1758   -0.3005    1.2061 C   0  0  0  0  0
   -2.4799   -1.1497    0.1269 C   0  0  0  0  0
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    7.4512    2.7060    3.0081 O   0  0  0  0  0
    8.4965    3.3847    2.3235 C   0  0  0  0  0
    3.7902    0.4480    4.9378 H   0  0  0  0  0
    4.0958    2.1481    5.4595 H   0  0  0  0  0
    5.0505    0.8137    6.1207 H   0  0  0  0  0
    6.5619    4.3846    1.0254 H   0  0  0  0  0
    3.0898    1.5406    3.0830 H   0  0  0  0  0
    2.5654    7.0414   -0.5807 H   0  0  0  0  0
    3.8522    5.4172   -2.9152 H   0  0  0  0  0
    4.2991    7.0484   -2.3539 H   0  0  0  0  0
    2.0610    7.9679   -2.9865 H   0  0  0  0  0
    2.0768    6.6466   -4.1845 H   0  0  0  0  0
    0.4701    6.4706   -1.7667 H   0  0  0  0  0
    1.1830    5.0148   -2.5096 H   0  0  0  0  0
    2.2715    0.5753    0.6870 H   0  0  0  0  0
    1.1340    1.3238   -0.4501 H   0  0  0  0  0
    0.2560   -0.8187    0.3174 H   0  0  0  0  0
    0.4483   -0.3677    2.0219 H   0  0  0  0  0
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    9.4451    3.0898    2.7813 H   0  0  0  0  0
    8.3964    4.4699    2.4351 H   0  0  0  0  0
    8.5348    3.0979    1.2662 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
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  8 36  1  0  0  0
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  9 17  1  0  0  0
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 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2431233

>  <PubChem CID>
52914822

>  <Formula>
C24H27FN4O2

>  <Molecular Weight>
422.504000

>  <IUPAC Name>
2-cyclobutyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CCN(CC4)C5=CC=CC=C5F)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CCN(CC4)C5=CC=CC=C5F)OC

>  <InChI Std. ID>
InChI=1S/C24H27FN4O2/c1-30-21-14-17-19(15-22(21)31-2)26-23(16-6-5-7-16)27-24(17)29-12-10-28(11-13-29)20-9-4-3-8-18(20)25/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3

>  <InChI Key>
GNFDMFYTUKMSND-UHFFFAOYSA-N

