General Information of the Compound
| Compound ID |
CP0433087
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
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| Structure |
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| Formula |
C21H25N3O7S
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| Molecular Weight |
463.512
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| Canonical SMILES |
COc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
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| InChI |
InChI=1S/C21H25N3O7S/c1-29-17-8-5-14(12-19(17)30-2)9-11-22-20(25)4-3-10-23-32(27,28)15-6-7-16-18(13-15)31-21(26)24-16/h5-8,12-13,23H,3-4,9-11H2,1-2H3,(H,22,25)(H,24,26)
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| InChIKey |
TXVCWDBCQVEUNW-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