General Information of the Compound
| Compound ID |
CP0457381
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| Compound Name |
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
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| Structure |
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| Formula |
C20H23N3O7S
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| Molecular Weight |
449.485
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| Canonical SMILES |
COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1
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| InChI |
InChI=1S/C20H23N3O7S/c1-28-14-6-5-13(17(10-14)29-2)12-21-19(24)4-3-9-22-31(26,27)15-7-8-16-18(11-15)30-20(25)23-16/h5-8,10-11,22H,3-4,9,12H2,1-2H3,(H,21,24)(H,23,25)
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| InChIKey |
KXDCRVVOJGJMFL-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