General Information of the Compound
| Compound ID |
CP0431421
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| Compound Name |
N-[(2-methylphenyl)methyl]-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
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| Structure |
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| Formula |
C19H21N3O5S
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| Molecular Weight |
403.46
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| Canonical SMILES |
Cc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C19H21N3O5S/c1-13-5-2-3-6-14(13)12-20-18(23)7-4-10-21-28(25,26)15-8-9-16-17(11-15)27-19(24)22-16/h2-3,5-6,8-9,11,21H,4,7,10,12H2,1H3,(H,20,23)(H,22,24)
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| InChIKey |
VFLAYYKPLZIEFS-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