General Information of the Compound
| Compound ID |
CP0023996
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| Compound Name |
N-[1-(4-ethyl-3-oxo-1,4-benzothiazine-2-carbonyl)piperidin-4-yl]pentadecanamide
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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)NC1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O
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| InChI |
InChI=1S/C31H49N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-28(35)32-25-21-23-33(24-22-25)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,32,35)
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| InChIKey |
VRRRDFQAVHMWRQ-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