
 CHEMBL263038

 91 97  0  0  0  0  0  0  0  0999 V2000
    0.8183    2.4175   -3.2117 C   0  0  0  0  0
    2.3384    2.4745   -3.2027 C   0  0  0  0  0
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    7.3176   -6.5413    2.1423 H   0  0  0  0  0
    1.7679   -7.0646    2.7711 H   0  0  0  0  0
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    3.4467   10.4439   -0.3089 H   0  0  0  0  0
    4.7175   12.1539   -1.5040 H   0  0  0  0  0
    6.7319   13.5826   -1.5322 H   0  0  0  0  0
    8.7369   12.9404   -0.2206 H   0  0  0  0  0
    8.7247   10.8536    1.1199 H   0  0  0  0  0
    6.7193    9.4201    1.1692 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL263038

>  <PubChem CID>
44277872

>  <Formula>
C42H39N7O3

>  <Molecular Weight>
689.820000

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

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCN(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)OCC7=CC=CC=C7

>  <Isomeric SMILES>
CCCCCN(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)OCC7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C42H39N7O3/c1-3-4-10-25-49(41(50)33-19-22-35(23-20-33)52-28-31-11-6-5-7-12-31)34-21-24-39-38(26-34)42(51)48(29-43-39)27-30-15-17-32(18-16-30)36-13-8-9-14-37(36)40-44-45-46-47(40)2/h5-9,11-24,26,29H,3-4,10,25,27-28H2,1-2H3

>  <InChI Key>
AUPCNUUWFJWRKW-UHFFFAOYSA-N

