General Information of the Compound
| Compound ID |
CP0954109
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| Compound Name |
N-(1-(4-Ethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-2-carbonyl)piperidin-4-yl)-heptadecanamide
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| Structure |
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| Formula |
C33H53N3O3S
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| Molecular Weight |
571.872
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| Canonical SMILES |
CCCCCCCCCCCCCCCCC(=O)NC1CCN(C(=O)C2Sc3ccccc3N(CC)C2=O)CC1
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| InChI |
InChI=1S/C33H53N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30(37)34-27-23-25-35(26-24-27)32(38)31-33(39)36(4-2)28-20-18-19-21-29(28)40-31/h18-21,27,31H,3-17,22-26H2,1-2H3,(H,34,37)
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| InChIKey |
WXZGZMXMZGFCPA-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