General Information of the Compound
| Compound ID |
CP0420783
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| Compound Name |
N-[(3-methoxyphenyl)methyl]-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
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| Structure |
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| Formula |
C17H17N3O6S
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| Molecular Weight |
391.405
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| Canonical SMILES |
COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
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| InChI |
InChI=1S/C17H17N3O6S/c1-25-12-4-2-3-11(7-12)9-18-16(21)10-19-27(23,24)13-5-6-14-15(8-13)26-17(22)20-14/h2-8,19H,9-10H2,1H3,(H,18,21)(H,20,22)
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| InChIKey |
AJTCZVBJSRIBCC-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
Protein ID: PT05210, Alkaline phosphatase, placental type
Protein ID: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT06212, Intestinal-type alkaline phosphatase