General Information of the Compound
| Compound ID |
CP0959742
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| Compound Name |
4-Ethyl-3-oxo-N-(1-pentadecanoylpiperidin-4-yl)-3,4-dihydro-2H-benzo[b][1,4]thiazine-2-carboxamide
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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 |
CCCCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2Sc3ccccc3N(CC)C2=O)CC1
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| InChI |
InChI=1S/C31H49N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-28(35)33-23-21-25(22-24-33)32-30(36)29-31(37)34(4-2)26-18-16-17-19-27(26)38-29/h16-19,25,29H,3-15,20-24H2,1-2H3,(H,32,36)
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| InChIKey |
VSIGRHLUBMMDQU-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