General Information of the Compound
| Compound ID |
CP0379748
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| Compound Name |
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]urea
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| Structure |
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| Formula |
C17H15N3O7S
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| Molecular Weight |
405.388
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| Canonical SMILES |
O=C(NCCc1ccc2OCOc2c1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C17H15N3O7S/c21-16(18-6-5-10-1-4-13-15(7-10)26-9-25-13)20-28(23,24)11-2-3-12-14(8-11)27-17(22)19-12/h1-4,7-8H,5-6,9H2,(H,19,22)(H2,18,20,21)
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| InChIKey |
ATZXPFIMBGOOFM-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