General Information of the Compound
| Compound ID |
CP0924447
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| Compound Name |
4-Ethyl-3-oxo-N-(1-palmitoylpiperidin-4-yl)-3,4-dihydro-2H-benzo[b][1,4]thiazine-2-carboxamide
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| Structure |
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| Formula |
C32H51N3O3S
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| Molecular Weight |
557.845
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2Sc3ccccc3N(CC)C2=O)CC1
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| InChI |
InChI=1S/C32H51N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-29(36)34-24-22-26(23-25-34)33-31(37)30-32(38)35(4-2)27-19-17-18-20-28(27)39-30/h17-20,26,30H,3-16,21-25H2,1-2H3,(H,33,37)
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| InChIKey |
AXVVPPMDUMSZMK-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