
 CHEMBL30015

 76 82  0  0  0  0  0  0  0  0999 V2000
   11.5482    5.6103    4.6212 C   0  0  0  0  0
   12.7029    5.2643    5.3981 N   0  0  0  0  0
   12.8368    4.8104    6.6899 C   0  0  0  0  0
   14.1400    4.7904    6.9421 N   0  0  0  0  0
   14.7841    5.2011    5.8102 N   0  0  0  0  0
   13.9169    5.4840    4.8566 N   0  0  0  0  0
   11.8170    4.4811    7.7021 C   0  0  0  0  0
   12.1047    4.9344    9.0119 C   0  0  0  0  0
   11.2902    4.6263   10.1013 C   0  0  0  0  0
   10.1627    3.8459    9.9107 C   0  0  0  0  0
    9.8505    3.3905    8.6303 C   0  0  0  0  0
   10.6549    3.6947    7.5046 C   0  0  0  0  0
   10.2206    3.1435    6.2099 C   0  0  0  0  0
    8.9768    3.5110    5.6636 C   0  0  0  0  0
    8.5670    3.0503    4.4072 C   0  0  0  0  0
    9.3905    2.2017    3.6585 C   0  0  0  0  0
   10.6094    1.7939    4.2267 C   0  0  0  0  0
   11.0128    2.2456    5.4889 C   0  0  0  0  0
    9.0100    1.8317    2.2345 C   0  0  0  0  0
    8.9278    0.3984    2.0008 N   0  0  0  0  0
    7.7112   -0.2416    1.9546 C   0  0  0  0  0
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   12.2054   -4.7304    1.8467 N   0  0  0  0  0
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   14.3147   -3.6984    2.7094 C   0  0  0  0  0
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   15.6557   -4.2368    4.6720 C   0  0  0  0  0
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   14.4325   -2.3384    3.0413 C   0  0  0  0  0
   16.4151   -2.5391    6.1197 O   0  0  0  0  0
   12.2334   -6.0877    2.2255 C   0  0  0  0  0
   13.1138   -6.8458    1.8020 O   0  0  0  0  0
   11.3164   -6.6585    3.2691 C   0  0  0  0  0
   11.3537   -8.0537    3.4594 C   0  0  0  0  0
   10.5746   -8.6744    4.4379 C   0  0  0  0  0
    9.7258   -7.9126    5.2325 C   0  0  0  0  0
    9.6928   -6.5280    5.0799 C   0  0  0  0  0
   10.5134   -5.9021    4.1324 C   0  0  0  0  0
   11.8193    6.3890    3.9015 H   0  0  0  0  0
   10.7589    5.9858    5.2728 H   0  0  0  0  0
   11.2312    4.7309    4.0610 H   0  0  0  0  0
   13.0018    5.5281    9.1943 H   0  0  0  0  0
   11.5534    4.9797   11.0951 H   0  0  0  0  0
    9.5327    3.5779   10.7549 H   0  0  0  0  0
    8.9696    2.7595    8.5114 H   0  0  0  0  0
    8.3244    4.1925    6.2088 H   0  0  0  0  0
    7.6118    3.3901    4.0121 H   0  0  0  0  0
   11.2915    1.1436    3.6843 H   0  0  0  0  0
   11.9685    1.9084    5.8889 H   0  0  0  0  0
    9.7491    2.2772    1.5570 H   0  0  0  0  0
    8.0426    2.2829    1.9823 H   0  0  0  0  0
    6.8387    0.4096    2.1244 H   0  0  0  0  0
   12.0558   -2.0223    1.7084 H   0  0  0  0  0
    9.6119   -5.5632    1.4006 H   0  0  0  0  0
    7.6115   -4.1436    1.4117 H   0  0  0  0  0
   13.4235   -3.3549    0.7576 H   0  0  0  0  0
   14.1242   -4.9178    0.9708 H   0  0  0  0  0
   14.9091   -5.7008    3.2956 H   0  0  0  0  0
   16.1445   -4.9753    5.3008 H   0  0  0  0  0
   15.1873   -0.8763    4.4241 H   0  0  0  0  0
   13.9962   -1.5671    2.4126 H   0  0  0  0  0
   16.3809   -1.5731    6.2151 H   0  0  0  0  0
   12.0215   -8.6676    2.8576 H   0  0  0  0  0
   10.6420   -9.7503    4.5801 H   0  0  0  0  0
    9.1068   -8.3952    5.9848 H   0  0  0  0  0
    9.0391   -5.9312    5.7117 H   0  0  0  0  0
   10.5049   -4.8164    4.0953 H   0  0  0  0  0
  1  2  1  0  0  0
  1 48  1  0  0  0
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  1 50  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
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  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
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 40 42  1  0  0  0
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 42 43  2  0  0  0
 42 47  1  0  0  0
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 47 76  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL30015

>  <PubChem CID>
44277594

>  <Formula>
C37H29N7O3

>  <Molecular Weight>
619.685000

>  <IUPAC Name>
N-[(4-hydroxyphenyl)methyl]-N-[3-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]-4-oxoquinazolin-6-yl]benzamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=NC5=C(C4=O)C=C(C=C5)N(CC6=CC=C(C=C6)O)C(=O)C7=CC=CC=C7

>  <Isomeric SMILES>
CN1C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=NC5=C(C4=O)C=C(C=C5)N(CC6=CC=C(C=C6)O)C(=O)C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C37H29N7O3/c1-42-35(39-40-41-42)32-10-6-5-9-31(32)27-15-11-25(12-16-27)22-43-24-38-34-20-17-29(21-33(34)37(43)47)44(23-26-13-18-30(45)19-14-26)36(46)28-7-3-2-4-8-28/h2-21,24,45H,22-23H2,1H3

>  <InChI Key>
ADFOXNCBBGJEFZ-UHFFFAOYSA-N

