General Information of the Compound
| Compound ID |
CP0534422
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| Compound Name |
(E)-3-[2-Bromo-5-(thiophen-3-ylmethoxy)-phenyl]-2-o-tolyl-prop-2-en-1-ol
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| Structure |
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| Formula |
C21H19BrO2S
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| Molecular Weight |
415.352
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| Canonical SMILES |
Cc1ccccc1\C(CO)=C/c1cc(OCc2ccsc2)ccc1Br
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| InChI |
InChI=1S/C21H19BrO2S/c1-15-4-2-3-5-20(15)18(12-23)10-17-11-19(6-7-21(17)22)24-13-16-8-9-25-14-16/h2-11,14,23H,12-13H2,1H3/b18-10-
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| InChIKey |
XRVKPFSNTJLQIL-ZDLGFXPLSA-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