General Information of the Compound
| Compound ID |
CP0508065
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| Compound Name |
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid
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| Structure |
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| Formula |
C14H17NO3S2
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| Molecular Weight |
311.428
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| Canonical SMILES |
CCCC(Sc1nc2ccc(OCC)cc2s1)C(O)=O
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| InChI |
InChI=1S/C14H17NO3S2/c1-3-5-11(13(16)17)19-14-15-10-7-6-9(18-4-2)8-12(10)20-14/h6-8,11H,3-5H2,1-2H3,(H,16,17)
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| InChIKey |
SODWLPSYQPOBRP-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