
 CHEMBL282168

 75 80  0  0  0  0  0  0  0  0999 V2000
    8.8258    2.9661   -2.9123 C   0  0  0  0  0
    8.3176    3.2893   -1.5179 C   0  0  0  0  0
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    0.7921   12.3456    7.3940 C   0  0  0  0  0
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    3.5644    0.9645    0.7624 O   0  0  0  0  0
    5.7743    0.5067    1.0893 C   0  0  0  0  0
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    7.7390   -1.3773    1.6862 C   0  0  0  0  0
    7.7130   -0.1706    2.3805 C   0  0  0  0  0
    6.7058    0.7604    2.1046 C   0  0  0  0  0
    8.7036   -2.3114    1.9185 O   0  0  0  0  0
    9.8773    3.2553   -3.0058 H   0  0  0  0  0
    8.2550    3.5080   -3.6728 H   0  0  0  0  0
    8.7485    1.8943   -3.1194 H   0  0  0  0  0
    8.4295    4.3646   -1.3348 H   0  0  0  0  0
    8.9431    2.7700   -0.7819 H   0  0  0  0  0
    6.7443    1.8070   -1.5214 H   0  0  0  0  0
    6.2272    3.3955   -2.0687 H   0  0  0  0  0
    6.5228    4.2744    0.3210 H   0  0  0  0  0
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    5.1976    5.2362   -0.9000 H   0  0  0  0  0
    0.6614    4.4458    0.8951 H   0  0  0  0  0
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    2.4151   10.4253   -0.9356 H   0  0  0  0  0
    4.0862    9.9137   -1.2441 H   0  0  0  0  0
    4.9016    8.3753    1.1029 H   0  0  0  0  0
    5.2331    8.6992    3.4765 H   0  0  0  0  0
    2.8940   12.3150    3.3250 H   0  0  0  0  0
    2.4511   11.9277    0.9510 H   0  0  0  0  0
    6.4148   10.5341    4.8746 H   0  0  0  0  0
    6.8939   10.4760    7.2781 H   0  0  0  0  0
    5.0323   10.5035    8.9161 H   0  0  0  0  0
    2.7217   10.5964    8.1489 H   0  0  0  0  0
    1.7406   12.8839    7.4460 H   0  0  0  0  0
    0.6526   11.7104    8.2729 H   0  0  0  0  0
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    6.6581    1.6823    2.6795 H   0  0  0  0  0
    9.3325   -1.9608    2.5699 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL282168

>  <PubChem CID>
44277677

>  <Formula>
C34H31N7O3

>  <Molecular Weight>
585.668000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCN(C1=CC2=C(C=C1)N=CN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C)C(=O)C6=CC=C(C=C6)O

>  <Isomeric SMILES>
CCCCN(C1=CC2=C(C=C1)N=CN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C)C(=O)C6=CC=C(C=C6)O

>  <InChI Std. ID>
InChI=1S/C34H31N7O3/c1-3-4-19-41(33(43)25-13-16-27(42)17-14-25)26-15-18-31-30(20-26)34(44)40(22-35-31)21-23-9-11-24(12-10-23)28-7-5-6-8-29(28)32-36-37-38-39(32)2/h5-18,20,22,42H,3-4,19,21H2,1-2H3

>  <InChI Key>
AGAKGDNXFKHLQS-UHFFFAOYSA-N

