General Information of the Compound
| Compound ID |
CP0444295
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| Compound Name |
1-(1,3-benzodioxol-5-yl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]urea
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| Structure |
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| Formula |
C15H11N3O7S
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| Molecular Weight |
377.334
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| Canonical SMILES |
O=C(Nc1ccc2OCOc2c1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C15H11N3O7S/c19-14(16-8-1-4-11-13(5-8)24-7-23-11)18-26(21,22)9-2-3-10-12(6-9)25-15(20)17-10/h1-6H,7H2,(H,17,20)(H2,16,18,19)
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| InChIKey |
FXEVWIKXYCOSOH-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