General Information of the Compound
| Compound ID |
CP0380591
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| Compound Name |
N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-butoxybenzamide
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| Structure |
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| Formula |
C30H32N2O3S2
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| Molecular Weight |
532.731
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| Canonical SMILES |
CCCCOc1ccc(cc1)C(=O)Nc1ccc2nc(SCc3c(C)cc(C)c(C(C)=O)c3C)sc2c1
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| InChI |
InChI=1S/C30H32N2O3S2/c1-6-7-14-35-24-11-8-22(9-12-24)29(34)31-23-10-13-26-27(16-23)37-30(32-26)36-17-25-18(2)15-19(3)28(20(25)4)21(5)33/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,31,34)
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| InChIKey |
XJQMMHCQUJOAQW-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