General Information of the Compound
| Compound ID |
CP0772106
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| Compound Name |
4'-[[6-(N-3,4-dimethoxybenzyl)aminocarboxyl-4-methyl-2-n-propyl-1H-benzoimidazolyl]methyl]-[1,1'-biphenyl]-2-N-(1H-tetrazol-5-yl)amide
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| Structure |
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| Formula |
C36H36N8O4
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| Molecular Weight |
644.736
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C36H36N8O4/c1-5-8-32-38-33-22(2)17-26(34(45)37-20-24-13-16-30(47-3)31(18-24)48-4)19-29(33)44(32)21-23-11-14-25(15-12-23)27-9-6-7-10-28(27)35(46)39-36-40-42-43-41-36/h6-7,9-19H,5,8,20-21H2,1-4H3,(H,37,45)(H2,39,40,41,42,43,46)
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| InChIKey |
IRSIXMZKWGJBDL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound