General Information of the Compound
| Compound ID |
CP0433641
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| Compound Name |
2-(4-benzyl-5-(2-(piperidin-1-yl)ethyl)-4H-1,2,4-triazol-3-ylthio)-N-(2,4-dimethylphenyl)acetamide
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| Structure |
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| Formula |
C26H33N5OS
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| Molecular Weight |
463.651
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| Canonical SMILES |
Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1
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| InChI |
InChI=1S/C26H33N5OS/c1-20-11-12-23(21(2)17-20)27-25(32)19-33-26-29-28-24(13-16-30-14-7-4-8-15-30)31(26)18-22-9-5-3-6-10-22/h3,5-6,9-12,17H,4,7-8,13-16,18-19H2,1-2H3,(H,27,32)
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| InChIKey |
PLBSRBWBXBTGAA-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