
 CHEMBL3734819

 74 78  0  0  0  0  0  0  0  0999 V2000
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    9.3793    3.0097    3.1422 O   0  0  0  0  0
    7.1133   -2.0111   -1.0103 C   0  0  0  0  0
    0.1902   -1.1846    2.1495 H   0  0  0  0  0
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    2.1570   -1.5580    0.7119 H   0  0  0  0  0
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    1.7797   -0.0145   -1.1225 H   0  0  0  0  0
    9.0876   -0.1647   -1.3073 H   0  0  0  0  0
    6.7287    3.4125   -0.8197 H   0  0  0  0  0
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    4.4906    6.7587    4.9913 H   0  0  0  0  0
    4.9632    7.4766    7.2877 H   0  0  0  0  0
    5.2709    5.7973    9.0893 H   0  0  0  0  0
    5.0969    3.3883    8.5683 H   0  0  0  0  0
    5.2701    0.8220    5.2228 H   0  0  0  0  0
   10.4468    4.0019   -0.8197 H   0  0  0  0  0
    8.1366    3.6191    1.0100 H   0  0  0  0  0
    9.3510    4.8786    1.0674 H   0  0  0  0  0
    9.9789    1.8989    1.5536 H   0  0  0  0  0
   11.0670    4.9731    3.4171 H   0  0  0  0  0
   13.4258    5.6760    3.5918 H   0  0  0  0  0
   15.1720    4.5350    2.2498 H   0  0  0  0  0
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   12.1986    1.9595    0.5352 H   0  0  0  0  0
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    8.1055   -2.3463   -0.6909 H   0  0  0  0  0
    6.9470   -2.3316   -2.0432 H   0  0  0  0  0
    6.3779   -2.5038   -0.3657 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3734819

>  <PubChem CID>
127034875

>  <Formula>
C34H33N3O4

>  <Molecular Weight>
547.655000

>  <IUPAC Name>
2-[4-[[6-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)NCC(C5=CC=CC=C5)O)C

>  <Isomeric SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)NC[C@@H](C5=CC=CC=C5)O)C

>  <InChI Std. ID>
InChI=1S/C34H33N3O4/c1-3-9-31-36-32-22(2)18-26(33(39)35-20-30(38)25-10-5-4-6-11-25)19-29(32)37(31)21-23-14-16-24(17-15-23)27-12-7-8-13-28(27)34(40)41/h4-8,10-19,30,38H,3,9,20-21H2,1-2H3,(H,35,39)(H,40,41)/t30-/m0/s1

>  <InChI Key>
BJQUTRCQUKHTLD-PMERELPUSA-N

