General Information of the Compound
| Compound ID |
CP0168941
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| Compound Name |
2-benzyl-N-[2-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methylamino]-2-oxoethyl]-3-sulfanylpropanamide
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| Structure |
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| Formula |
C34H37ClN8O2S
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| Molecular Weight |
657.244
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| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)CNC(=O)C(CS)Cc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C34H37ClN8O2S/c1-2-3-13-30-38-32(35)29(19-36-31(44)20-37-34(45)26(22-46)18-23-9-5-4-6-10-23)43(30)21-24-14-16-25(17-15-24)27-11-7-8-12-28(27)33-39-41-42-40-33/h4-12,14-17,26,46H,2-3,13,18-22H2,1H3,(H,36,44)(H,37,45)(H,39,40,41,42)
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| InChIKey |
VYMCWUZSCSKLNN-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