General Information of the Compound
| Compound ID |
CP0428330
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| Compound Name |
4-tert-butyl-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide
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| Structure |
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| Formula |
C29H32N2OS2
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| Molecular Weight |
488.722
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| Canonical SMILES |
CC(C)(C)c1ccc(CSc2nc3ccc(NC(=O)c4ccc(cc4)C(C)(C)C)cc3s2)cc1
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| InChI |
InChI=1S/C29H32N2OS2/c1-28(2,3)21-11-7-19(8-12-21)18-33-27-31-24-16-15-23(17-25(24)34-27)30-26(32)20-9-13-22(14-10-20)29(4,5)6/h7-17H,18H2,1-6H3,(H,30,32)
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| InChIKey |
FPTKRPBTMUTHRC-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