General Information of the Compound
| Compound ID |
CP0425013
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| Compound Name |
N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide
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| Structure |
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| Formula |
C30H32N2O2S2
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| Molecular Weight |
516.732
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| Canonical SMILES |
CC(=O)c1c(C)cc(C)c(CSc2nc3ccc(NC(=O)c4ccc(cc4)C(C)(C)C)cc3s2)c1C
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| InChI |
InChI=1S/C30H32N2O2S2/c1-17-14-18(2)27(20(4)33)19(3)24(17)16-35-29-32-25-13-12-23(15-26(25)36-29)31-28(34)21-8-10-22(11-9-21)30(5,6)7/h8-15H,16H2,1-7H3,(H,31,34)
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| InChIKey |
KQZXMMKTMYHYCC-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