General Information of the Compound
| Compound ID |
CP0946471
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| Compound Name |
4'-[[6-(N-2-methoxyphenethyl)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 |
C36H36N8O3
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| Molecular Weight |
628.737
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3OC)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C36H36N8O3/c1-4-9-32-38-33-23(2)20-27(34(45)37-19-18-26-10-5-8-13-31(26)47-3)21-30(33)44(32)22-24-14-16-25(17-15-24)28-11-6-7-12-29(28)35(46)39-36-40-42-43-41-36/h5-8,10-17,20-21H,4,9,18-19,22H2,1-3H3,(H,37,45)(H2,39,40,41,42,43,46)
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| InChIKey |
LQFJUBHVTBZRBF-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