General Information of the Compound
| Compound ID |
CP0460354
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]urea
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| Structure |
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| Formula |
C16H15N3O7S
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| Molecular Weight |
393.377
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| Canonical SMILES |
COc1ccc(NC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
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| InChI |
InChI=1S/C16H15N3O7S/c1-24-12-6-3-9(7-14(12)25-2)17-15(20)19-27(22,23)10-4-5-11-13(8-10)26-16(21)18-11/h3-8H,1-2H3,(H,18,21)(H2,17,19,20)
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| InChIKey |
GUPZXPIYEQEYMR-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