
 CHEMBL30086

 74 80  0  0  0  0  0  0  0  0999 V2000
   11.8130    5.5106    4.5479 C   0  0  0  0  0
   13.0271    5.1773    5.2333 N   0  0  0  0  0
   13.2687    4.7014    6.5013 C   0  0  0  0  0
   14.5884    4.7002    6.6490 N   0  0  0  0  0
   15.1356    5.1493    5.4828 N   0  0  0  0  0
   14.1920    5.4392    4.6073 N   0  0  0  0  0
   12.3399    4.3372    7.5889 C   0  0  0  0  0
   12.7535    4.7324    8.8842 C   0  0  0  0  0
   12.0381    4.3906   10.0316 C   0  0  0  0  0
   10.8825    3.6372    9.9157 C   0  0  0  0  0
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    9.3423    3.4773    5.7499 C   0  0  0  0  0
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    9.5836    2.1960    3.6960 C   0  0  0  0  0
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    8.7686   -2.2087    1.4672 C   0  0  0  0  0
   10.0438   -1.6685    1.5275 C   0  0  0  0  0
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   12.2750   -6.0111    2.3018 C   0  0  0  0  0
   13.2281   -6.7412    1.9972 O   0  0  0  0  0
   11.3093   -6.5902    3.3012 C   0  0  0  0  0
   11.4893   -7.9509    3.6294 C   0  0  0  0  0
   10.6845   -8.5913    4.5756 C   0  0  0  0  0
    9.6610   -7.8882    5.1976 C   0  0  0  0  0
    9.4841   -6.5364    4.9126 C   0  0  0  0  0
   10.3316   -5.8825    4.0063 C   0  0  0  0  0
   12.0081    6.3290    3.8450 H   0  0  0  0  0
   11.0590    5.8323    5.2645 H   0  0  0  0  0
   11.4922    4.6424    3.9733 H   0  0  0  0  0
   13.6736    5.3059    9.0068 H   0  0  0  0  0
   12.3992    4.6981   11.0093 H   0  0  0  0  0
   10.3270    3.3457   10.8035 H   0  0  0  0  0
    9.5473    2.6250    8.5904 H   0  0  0  0  0
    8.7522    4.1715    6.3471 H   0  0  0  0  0
    7.8766    3.4433    4.1813 H   0  0  0  0  0
   11.4443    1.0698    3.5902 H   0  0  0  0  0
   12.2832    1.7690    5.7532 H   0  0  0  0  0
    9.8042    2.3603    1.5807 H   0  0  0  0  0
    8.1290    2.3397    2.1165 H   0  0  0  0  0
    6.9294    0.4837    2.0883 H   0  0  0  0  0
   12.1325   -1.9686    1.7250 H   0  0  0  0  0
    9.6649   -5.4875    1.2543 H   0  0  0  0  0
    7.6742   -4.0420    1.2235 H   0  0  0  0  0
   13.4447   -3.3601    0.6767 H   0  0  0  0  0
   14.1590   -4.9082    0.9614 H   0  0  0  0  0
   15.1595   -5.4952    3.2182 H   0  0  0  0  0
   16.3732   -4.5463    5.1651 H   0  0  0  0  0
   16.1934   -2.0988    5.6425 H   0  0  0  0  0
   14.7906   -0.6977    4.1244 H   0  0  0  0  0
   12.2895   -8.5276    3.1631 H   0  0  0  0  0
   10.8640   -9.6341    4.8232 H   0  0  0  0  0
    9.0179   -8.3864    5.9189 H   0  0  0  0  0
    8.6944   -5.9806    5.4118 H   0  0  0  0  0
   10.2019   -4.8146    3.8876 H   0  0  0  0  0
  1  2  1  0  0  0
  1 47  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL30086

>  <PubChem CID>
44277574

>  <Formula>
C36H28N8O2

>  <Molecular Weight>
604.674000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <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=CC=N6)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=CC=N6)C(=O)C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C36H28N8O2/c1-42-34(39-40-41-42)31-13-6-5-12-30(31)26-16-14-25(15-17-26)22-43-24-38-33-19-18-29(21-32(33)36(43)46)44(23-28-11-7-8-20-37-28)35(45)27-9-3-2-4-10-27/h2-21,24H,22-23H2,1H3

>  <InChI Key>
ACBOMCMCGRRIIN-UHFFFAOYSA-N

