General Information of the Compound
| Compound ID |
CP0872531
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| Compound Name |
(2Z,4E)-3-hydroxy-1-(2-hydroxyphenyl)-5-(4-nitrophenyl)penta-2,4-dien-1-one
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| Formula |
C17H13NO5
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| Molecular Weight |
311.293
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| Canonical SMILES |
O=C(/C=C(O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O
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| InChI |
InChI=1S/C17H13NO5/c19-14(11-17(21)15-3-1-2-4-16(15)20)10-7-12-5-8-13(9-6-12)18(22)23/h1-11,19-20H/b10-7+,14-11-
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| InChIKey |
DCVWWVHIWOOFFL-KSMSJBKCSA-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