General Information of the Compound
| Compound ID |
CP0458646
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| Compound Name |
1-(4-cyanophenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]urea
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| Structure |
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| Formula |
C15H10N4O5S
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| Molecular Weight |
358.335
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C#N)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C15H10N4O5S/c16-8-9-1-3-10(4-2-9)17-14(20)19-25(22,23)11-5-6-12-13(7-11)24-15(21)18-12/h1-7H,(H,18,21)(H2,17,19,20)
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| InChIKey |
MCTCFDVBHSRTAO-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