General Information of the Compound
Compound ID |
CP0408825
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Compound Name |
4-ethyl-2-(4-tetradecanoylpiperazine-1-carbonyl)-1,4-benzothiazin-3-one
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Structure |
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Formula |
C29H45N3O3S
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Molecular Weight |
515.764
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Canonical SMILES |
CCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C1Sc2ccccc2N(CC)C1=O
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InChI |
InChI=1S/C29H45N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-19-26(33)30-20-22-31(23-21-30)28(34)27-29(35)32(4-2)24-17-15-16-18-25(24)36-27/h15-18,27H,3-14,19-23H2,1-2H3
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InChIKey |
PBSUMDGOTJCMDX-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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