General Information of the Compound
| Compound ID |
CP0431754
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| Compound Name |
N-[(3-cyanophenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
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| Structure |
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| Formula |
C18H16N4O5S
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| Molecular Weight |
400.416
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1cccc(c1)C#N
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| InChI |
InChI=1S/C18H16N4O5S/c19-10-12-2-1-3-13(8-12)11-20-17(23)6-7-21-28(25,26)14-4-5-15-16(9-14)27-18(24)22-15/h1-5,8-9,21H,6-7,11H2,(H,20,23)(H,22,24)
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| InChIKey |
BBHKZIPPNNSNSM-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