General Information of the Compound
| Compound ID |
CP0677118
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| Compound Name |
4'-[[6-(N-3-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)NCCc3cccc(OC)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C36H36N8O3/c1-4-8-32-38-33-23(2)19-27(34(45)37-18-17-24-9-7-10-28(20-24)47-3)21-31(33)44(32)22-25-13-15-26(16-14-25)29-11-5-6-12-30(29)35(46)39-36-40-42-43-41-36/h5-7,9-16,19-21H,4,8,17-18,22H2,1-3H3,(H,37,45)(H2,39,40,41,42,43,46)
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| InChIKey |
VDQVKSHPXITIDR-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