General Information of the Compound
| Compound ID |
CP0461277
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| Compound Name |
1-[(2,4-dimethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]urea
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| Structure |
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| Formula |
C17H17N3O7S
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| Molecular Weight |
407.404
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| Canonical SMILES |
COc1ccc(CNC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1
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| InChI |
InChI=1S/C17H17N3O7S/c1-25-11-4-3-10(14(7-11)26-2)9-18-16(21)20-28(23,24)12-5-6-13-15(8-12)27-17(22)19-13/h3-8H,9H2,1-2H3,(H,19,22)(H2,18,20,21)
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| InChIKey |
JDMABYGLZGGSTI-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