General Information of the Compound
| Compound ID |
CP0379785
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| Compound Name |
N-(3,4-dimethylphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
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| Structure |
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| Formula |
C18H19N3O5S
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| Molecular Weight |
389.433
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| Canonical SMILES |
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1C
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| InChI |
InChI=1S/C18H19N3O5S/c1-11-3-4-13(9-12(11)2)20-17(22)7-8-19-27(24,25)14-5-6-15-16(10-14)26-18(23)21-15/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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| InChIKey |
YFDNKXAKRAVXCS-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