General Information of the Compound
| Compound ID |
CP0404809
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| Compound Name |
(E)-3-(4-tert-Butyl-phenyl)-N-(3,4-dimethoxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
COc1ccc(NC(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1OC
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| InChI |
InChI=1S/C21H25NO3/c1-21(2,3)16-9-6-15(7-10-16)8-13-20(23)22-17-11-12-18(24-4)19(14-17)25-5/h6-14H,1-5H3,(H,22,23)/b13-8+
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| InChIKey |
GXKPMXKEYHOACC-MDWZMJQESA-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