
 CHEMBL309165

 74 79  0  0  0  0  0  0  0  0999 V2000
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    0.0991   -3.2778   -7.2287 H   0  0  0  0  0
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    9.2774   -1.9313   -0.1362 H   0  0  0  0  0
    9.3559    1.1870    0.6773 H   0  0  0  0  0
    8.6380    2.6783    1.2449 H   0  0  0  0  0
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   11.0783    3.1940   -2.9033 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL309165

>  <PubChem CID>
15222092

>  <Formula>
C30H32N10O2

>  <Molecular Weight>
564.654000

>  <IUPAC Name>
2-propyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)CN5CCN(CC5)C6=NC=CC=N6

>  <Isomeric SMILES>
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)CN5CCN(CC5)C6=NC=CC=N6

>  <InChI Std. ID>
InChI=1S/C30H32N10O2/c1-2-6-26-33-25(20-38-15-17-39(18-16-38)30-31-13-5-14-32-30)27(29(41)42)40(26)19-21-9-11-22(12-10-21)23-7-3-4-8-24(23)28-34-36-37-35-28/h3-5,7-14H,2,6,15-20H2,1H3,(H,41,42)(H,34,35,36,37)

>  <InChI Key>
AXWUCCRVXUGJIS-UHFFFAOYSA-N

