General Information of the Compound
| Compound ID |
CP0931147
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| Compound Name |
2-(4-Decanoylpiperazine-1-carbonyl)-4-ethyl-2H-benzo[b][1,4]thiazin-3(4H)-one
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| Structure |
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| Formula |
C25H37N3O3S
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| Molecular Weight |
459.656
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| Canonical SMILES |
CCCCCCCCCC(=O)N1CCN(C(=O)C2Sc3ccccc3N(CC)C2=O)CC1
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| InChI |
InChI=1S/C25H37N3O3S/c1-3-5-6-7-8-9-10-15-22(29)26-16-18-27(19-17-26)24(30)23-25(31)28(4-2)20-13-11-12-14-21(20)32-23/h11-14,23H,3-10,15-19H2,1-2H3
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| InChIKey |
BCFLFXJQFNLSRB-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