General Information of the Compound
| Compound ID |
CP0052589
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| Compound Name |
prop-2-ynyl 4-hydroxy-3-[(2-phenoxyacetyl)amino]benzoate
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| Structure |
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| Formula |
C18H15NO5
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| Molecular Weight |
325.32
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| Canonical SMILES |
Oc1ccc(cc1NC(=O)COc1ccccc1)C(=O)OCC#C
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| InChI |
InChI=1S/C18H15NO5/c1-2-10-23-18(22)13-8-9-16(20)15(11-13)19-17(21)12-24-14-6-4-3-5-7-14/h1,3-9,11,20H,10,12H2,(H,19,21)
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| InChIKey |
FQUJUCMFSVMNTO-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