General Information of the Compound
| Compound ID |
CP0411683
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| Compound Name |
2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
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| Structure |
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| Formula |
C27H36N4OS2
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| Molecular Weight |
496.746
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1
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| InChI |
InChI=1S/C27H36N4OS2/c1-19(2)21-8-7-9-22(20(3)4)26(21)29-25(32)18-31-14-12-30(13-15-31)16-17-33-27-28-23-10-5-6-11-24(23)34-27/h5-11,19-20H,12-18H2,1-4H3,(H,29,32)
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| InChIKey |
MUNZZVQVCLIKIP-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