General Information of the Compound
| Compound ID |
CP0531731
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| Compound Name |
(E)-3-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H17NO6
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| Molecular Weight |
343.335
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H17NO6/c1-23-16-10-13(11-17(24-2)18(16)25-3)15(20)9-6-12-4-7-14(8-5-12)19(21)22/h4-11H,1-3H3/b9-6+
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| InChIKey |
PGLMCDFGQNAYCR-RMKNXTFCSA-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