General Information of the Compound
| Compound ID |
CP0544996
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| Compound Name |
(E)-N-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]-3-phenylprop-2-enamide
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| Structure |
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| Formula |
C27H24N2O5
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| Molecular Weight |
456.498
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| Canonical SMILES |
COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)\C=C\c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C27H24N2O5/c1-33-24-18-22(25(16-17-29(31)32)26(19-24)34-2)12-8-21-9-13-23(14-10-21)28-27(30)15-11-20-6-4-3-5-7-20/h3-19H,1-2H3,(H,28,30)/b12-8+,15-11+,17-16+
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| InChIKey |
TXAUUBJYWPWITR-MRCNKUTMSA-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