
 CHEMBL2431136

 58 62  0  0  0  0  0  0  0  0999 V2000
    3.9998   -1.6150    0.7620 C   0  0  0  0  0
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    2.7927    5.3266   -1.0122 N   0  0  0  0  0
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    4.4845    4.8020    0.5741 N   0  0  0  0  0
    4.1246    7.1047   -0.0329 C   0  0  0  0  0
    3.4675    8.1009   -0.7789 C   0  0  0  0  0
    3.8007    9.4541   -0.6496 C   0  0  0  0  0
    4.8025    9.8450    0.2328 C   0  0  0  0  0
    5.4709    8.8854    0.9855 C   0  0  0  0  0
    5.1345    7.5351    0.8525 C   0  0  0  0  0
    1.4490    3.6299   -1.9837 N   0  0  0  0  0
    0.1645    3.3761   -1.2892 C   0  0  0  0  0
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    0.4238    5.7431   -2.9563 C   0  0  0  0  0
    1.2807    4.4781   -3.1846 C   0  0  0  0  0
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    5.4958    0.3152    1.8316 O   0  0  0  0  0
    6.5685    0.8082    2.6249 C   0  0  0  0  0
    3.5261   -2.5568    0.4657 H   0  0  0  0  0
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    2.2112    1.2528   -1.1379 H   0  0  0  0  0
    2.6801    7.8265   -1.4769 H   0  0  0  0  0
    3.2749   10.1997   -1.2397 H   0  0  0  0  0
    5.0623   10.8953    0.3342 H   0  0  0  0  0
    6.2550    9.1826    1.6777 H   0  0  0  0  0
    5.6755    6.8063    1.4550 H   0  0  0  0  0
    0.3129    2.8409   -0.3431 H   0  0  0  0  0
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    7.3115    1.3261    2.0096 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
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  2  3  1  0  0  0
  3  4  2  0  0  0
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  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
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  6 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2431136

>  <PubChem CID>
1941471

>  <Formula>
C26H25FN4O2

>  <Molecular Weight>
444.510000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)OC

>  <InChI Std. ID>
InChI=1S/C26H25FN4O2/c1-32-23-16-21-22(17-24(23)33-2)28-25(18-6-4-3-5-7-18)29-26(21)31-14-12-30(13-15-31)20-10-8-19(27)9-11-20/h3-11,16-17H,12-15H2,1-2H3

>  <InChI Key>
QJSSVXHQDQGEIJ-UHFFFAOYSA-N

