General Information of the Compound
| Compound ID |
CP0366627
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| Compound Name |
4-ethyl-2-(4-hexadecanoylpiperazine-1-carbonyl)-1,4-benzothiazin-3-one
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| Structure |
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| Formula |
C31H49N3O3S
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| Molecular Weight |
543.818
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O
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| InChI |
InChI=1S/C31H49N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-28(35)32-22-24-33(25-23-32)30(36)29-31(37)34(4-2)26-19-17-18-20-27(26)38-29/h17-20,29H,3-16,21-25H2,1-2H3
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| InChIKey |
CKFOSZNQQBPCOF-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
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 13200 nM
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