General Information of the Compound
| Compound ID |
CP0680625
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| Compound Name |
4'-[[6-(N-2-fluorophenethyl)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 |
C35H33FN8O2
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| Molecular Weight |
616.701
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3F)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C35H33FN8O2/c1-3-8-31-38-32-22(2)19-26(33(45)37-18-17-25-9-4-7-12-29(25)36)20-30(32)44(31)21-23-13-15-24(16-14-23)27-10-5-6-11-28(27)34(46)39-35-40-42-43-41-35/h4-7,9-16,19-20H,3,8,17-18,21H2,1-2H3,(H,37,45)(H2,39,40,41,42,43,46)
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| InChIKey |
SUJUZSXFSKWECJ-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