
 CHEMBL42101

 82 88  0  0  0  0  0  0  0  0999 V2000
    2.2685    1.2710   -3.4024 C   0  0  0  0  0
    2.6906    1.7784   -2.0324 C   0  0  0  0  0
    3.6602    0.8098   -1.3436 C   0  0  0  0  0
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    5.9331    2.7985   -0.7194 N   0  0  0  0  0
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    5.0657    4.8082   -0.1159 C   0  0  0  0  0
    4.3199    3.8066    0.4611 N   0  0  0  0  0
    3.2076    3.9902    1.3810 C   0  0  0  0  0
    3.6783    4.0075    2.8199 C   0  0  0  0  0
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    4.9373    8.0799   -3.0724 O   0  0  0  0  0
    5.1528   10.2732   -2.3064 N   0  0  0  0  0
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    1.7383    0.3174   -3.3229 H   0  0  0  0  0
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    4.2541    6.0958    2.8002 H   0  0  0  0  0
    5.1272    6.1095    5.0709 H   0  0  0  0  0
    4.0275    1.9657    5.5296 H   0  0  0  0  0
    3.2265    1.9276    3.2214 H   0  0  0  0  0
    3.9673    5.8122    7.3686 H   0  0  0  0  0
    4.7635    6.0453    9.6759 H   0  0  0  0  0
    6.4268    4.4459   10.5917 H   0  0  0  0  0
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    7.9343   -0.6663    6.1324 H   0  0  0  0  0
    7.7628    6.7842   -1.9899 H   0  0  0  0  0
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    6.9938    8.6980   -0.7848 H   0  0  0  0  0
    5.3825    8.7676   -0.0589 H   0  0  0  0  0
    2.7546    9.0919   -2.8144 H   0  0  0  0  0
    0.8821   10.0040   -4.0832 H   0  0  0  0  0
    1.0180   12.2679   -5.0913 H   0  0  0  0  0
    3.1051   13.5905   -4.8605 H   0  0  0  0  0
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    7.8544   10.0837   -2.3072 H   0  0  0  0  0
    9.4434   11.6085   -1.2252 H   0  0  0  0  0
    8.6403   13.6746   -0.1135 H   0  0  0  0  0
    6.2108   14.1716   -0.0373 H   0  0  0  0  0
    4.5879   12.5954   -0.9956 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL42101

>  <PubChem CID>
10054827

>  <Formula>
C38H34N8O2

>  <Molecular Weight>
634.744000

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

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)CC(=O)N(C6=CC=CC=C6)C7=CC=CC=C7

>  <Isomeric SMILES>
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)CC(=O)N(C6=CC=CC=C6)C7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C38H34N8O2/c1-2-3-18-34-39-33-23-24-44(26-35(47)46(29-12-6-4-7-13-29)30-14-8-5-9-15-30)38(48)36(33)45(34)25-27-19-21-28(22-20-27)31-16-10-11-17-32(31)37-40-42-43-41-37/h4-17,19-24H,2-3,18,25-26H2,1H3,(H,40,41,42,43)

>  <InChI Key>
BHLCMOUGUBJVCV-UHFFFAOYSA-N

