General Information of the Compound
| Compound ID |
CP0545895
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| Compound Name |
(E)-1-(4-chlorophenyl)-3-(3-methoxy-4-nitrophenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C16H12ClNO4
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| Molecular Weight |
317.728
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1[N+]([O-])=O
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| InChI |
InChI=1S/C16H12ClNO4/c1-22-16-10-11(2-8-14(16)18(20)21)3-9-15(19)12-4-6-13(17)7-5-12/h2-10H,1H3/b9-3+
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| InChIKey |
WGMXXJDJGHYCCA-YCRREMRBSA-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