General Information of the Compound
| Compound ID |
CP0954636
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| Compound Name |
4-Ethyl-3-oxo-N-(1-tetradecanoylpiperidin-4-yl)-3,4-dihydro-2H-benzo[b][1,4]thiazine-2-carboxamide
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| Structure |
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| Formula |
C30H47N3O3S
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| Molecular Weight |
529.791
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| Canonical SMILES |
CCCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2Sc3ccccc3N(CC)C2=O)CC1
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| InChI |
InChI=1S/C30H47N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-19-27(34)32-22-20-24(21-23-32)31-29(35)28-30(36)33(4-2)25-17-15-16-18-26(25)37-28/h15-18,24,28H,3-14,19-23H2,1-2H3,(H,31,35)
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| InChIKey |
IVDXHZKLANQGLA-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