
 CHEMBL183287

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.1560    1.0907    4.4857 C   0  0  0  0  0
    1.2554    1.8883    4.1746 C   0  0  0  0  0
    2.0424    1.5908    3.0611 C   0  0  0  0  0
    1.7322    0.4954    2.2441 C   0  0  0  0  0
    0.6258   -0.3021    2.5671 C   0  0  0  0  0
   -0.1579   -0.0047    3.6834 C   0  0  0  0  0
    2.5966    0.1700    1.0500 C   0  0  0  0  0
    3.5946   -0.9566    1.3625 C   0  0  0  0  0
    4.4276   -1.3432    0.2101 N   0  0  0  0  0
    4.3703   -2.5933   -0.4165 C   0  0  0  0  0
    5.2932   -3.0118   -1.2322 N   0  0  0  0  0
    6.3709   -2.1819   -1.5428 C   0  0  0  0  0
    6.4821   -0.8900   -1.0413 C   0  0  0  0  0
    5.4540   -0.4395   -0.0942 C   0  0  0  0  0
    5.5628    0.6784    0.4077 O   0  0  0  0  0
    7.5632   -0.0713   -1.3832 C   0  0  0  0  0
    8.5441   -0.5730   -2.2271 C   0  0  0  0  0
    8.4640   -1.8679   -2.7274 C   0  0  0  0  0
    7.3729   -2.6704   -2.3872 C   0  0  0  0  0
    9.5895    0.1961   -2.5559 F   0  0  0  0  0
    3.2512   -3.5551   -0.1609 C   0  0  0  0  0
    1.9133   -3.1461   -0.1525 C   0  0  0  0  0
    0.8898   -4.0702    0.0828 C   0  0  0  0  0
    1.1914   -5.4187    0.2664 C   0  0  0  0  0
    2.5138   -5.8501    0.1938 C   0  0  0  0  0
    3.5318   -4.9264   -0.0343 C   0  0  0  0  0
    4.7976   -5.4386   -0.1556 O   0  0  0  0  0
   -0.4555    1.3229    5.3538 H   0  0  0  0  0
    1.5013    2.7428    4.7998 H   0  0  0  0  0
    2.8998    2.2219    2.8339 H   0  0  0  0  0
    0.3644   -1.1609    1.9543 H   0  0  0  0  0
   -1.0146   -0.6274    3.9282 H   0  0  0  0  0
    3.1213    1.0770    0.7277 H   0  0  0  0  0
    1.9531   -0.0914    0.2037 H   0  0  0  0  0
    3.0895   -1.8317    1.7800 H   0  0  0  0  0
    4.2728   -0.6150    2.1572 H   0  0  0  0  0
    7.6512    0.9374   -0.9923 H   0  0  0  0  0
    9.2488   -2.2449   -3.3763 H   0  0  0  0  0
    7.3038   -3.6827   -2.7777 H   0  0  0  0  0
    1.6418   -2.1182   -0.3554 H   0  0  0  0  0
   -0.1469   -3.7413    0.1059 H   0  0  0  0  0
    0.3953   -6.1396    0.4368 H   0  0  0  0  0
    2.7526   -6.9057    0.2918 H   0  0  0  0  0
    5.3325   -4.7598   -0.6230 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 22 23  1  0  0  0
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 27 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL183287

>  <PubChem CID>
135543644

>  <Formula>
C22H17FN2O2

>  <Molecular Weight>
360.388000

>  <IUPAC Name>
6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CCN2C(=NC3=C(C2=O)C=C(C=C3)F)C4=CC=CC=C4O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCN2C(=NC3=C(C2=O)C=C(C=C3)F)C4=CC=CC=C4O

>  <InChI Std. ID>
InChI=1S/C22H17FN2O2/c23-16-10-11-19-18(14-16)22(27)25(13-12-15-6-2-1-3-7-15)21(24-19)17-8-4-5-9-20(17)26/h1-11,14,26H,12-13H2

>  <InChI Key>
AOCHDFWZHGQOFU-UHFFFAOYSA-N

