
 CHEMBL88170

 80 85  0  0  0  0  0  0  0  0999 V2000
    4.4481   -1.8494    2.6435 C   0  0  0  0  0
    3.9058   -1.0008    1.5059 C   0  0  0  0  0
    4.5761    0.3737    1.4511 C   0  0  0  0  0
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    5.8194    2.7018   -0.5045 N   0  0  0  0  0
    6.0113    4.0399   -0.5039 C   0  0  0  0  0
    5.0026    4.7214    0.1133 C   0  0  0  0  0
    4.2006    3.7377    0.6446 N   0  0  0  0  0
    3.0645    3.9520    1.5344 C   0  0  0  0  0
    3.4696    4.0166    2.9921 C   0  0  0  0  0
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    8.4401    9.2938   -0.6126 C   0  0  0  0  0
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    9.7342   10.0472    1.2870 C   0  0  0  0  0
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    7.5560    9.0604    1.6205 C   0  0  0  0  0
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    2.5610   10.5396   -2.3901 C   0  0  0  0  0
    4.7106   11.8344   -2.5289 C   0  0  0  0  0
    4.2648   -1.3716    3.6108 H   0  0  0  0  0
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    3.9588   -2.8287    2.6498 H   0  0  0  0  0
    2.8230   -0.8829    1.6305 H   0  0  0  0  0
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    5.6581    0.2495    1.3175 H   0  0  0  0  0
    4.4333    0.8948    2.4045 H   0  0  0  0  0
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    4.1323    0.6577   -0.6358 H   0  0  0  0  0
    2.3433    3.1473    1.3648 H   0  0  0  0  0
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    4.7136    5.7860    2.8033 H   0  0  0  0  0
    5.3967    5.8557    5.1194 H   0  0  0  0  0
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    2.2949    2.3006    3.6036 H   0  0  0  0  0
    3.8599    6.2343    7.3425 H   0  0  0  0  0
    4.5667    6.5508    9.6734 H   0  0  0  0  0
    5.7615    4.7336   10.8710 H   0  0  0  0  0
    6.2474    2.6135    9.7218 H   0  0  0  0  0
    6.2899   -1.0641    7.0471 H   0  0  0  0  0
    7.9368    6.6522   -1.4096 H   0  0  0  0  0
    7.8816    4.1925   -1.5721 H   0  0  0  0  0
    5.3332    8.5810    0.4449 H   0  0  0  0  0
    8.3714    9.1681   -1.6917 H   0  0  0  0  0
   10.4019   10.1763   -0.7547 H   0  0  0  0  0
   10.6353   10.4998    1.6921 H   0  0  0  0  0
    8.8157    9.7800    3.2152 H   0  0  0  0  0
    6.7706    8.7498    2.3082 H   0  0  0  0  0
    4.3030    9.9374   -3.4782 H   0  0  0  0  0
    2.2822   11.0052   -1.4384 H   0  0  0  0  0
    2.1213    9.5361   -2.3892 H   0  0  0  0  0
    2.1145   11.1138   -3.2076 H   0  0  0  0  0
    4.5024   12.3538   -1.5864 H   0  0  0  0  0
    4.3444   12.4483   -3.3567 H   0  0  0  0  0
    5.8002   11.7545   -2.6065 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL88170

>  <PubChem CID>
10077328

>  <Formula>
C35H35N7O3

>  <Molecular Weight>
601.711000

>  <IUPAC Name>
propan-2-yl 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-2-phenylacetate

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)C(C6=CC=CC=C6)C(=O)OC(C)C

>  <Isomeric SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)C(C6=CC=CC=C6)C(=O)OC(C)C

>  <InChI Std. ID>
InChI=1S/C35H35N7O3/c1-4-5-15-30-36-29-20-21-41(31(35(44)45-23(2)3)26-11-7-6-8-12-26)34(43)32(29)42(30)22-24-16-18-25(19-17-24)27-13-9-10-14-28(27)33-37-39-40-38-33/h6-14,16-21,23,31H,4-5,15,22H2,1-3H3,(H,37,38,39,40)

>  <InChI Key>
ARCDKRKGQBSIQE-UHFFFAOYSA-N

