General Information of the Compound
| Compound ID |
CP0383920
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| Compound Name |
N-[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H19NO4S
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| Molecular Weight |
393.464
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccccc2NC(=O)c2cccs2)cc1OC
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| InChI |
InChI=1S/C22H19NO4S/c1-26-19-12-10-15(14-20(19)27-2)9-11-18(24)16-6-3-4-7-17(16)23-22(25)21-8-5-13-28-21/h3-14H,1-2H3,(H,23,25)/b11-9+
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| InChIKey |
CGTQZAFHVCWIOW-PKNBQFBNSA-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