General Information of the Compound
| Compound ID |
CP0496169
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| Compound Name |
(E)-1-[2,4-dihydroxy-5-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]phenyl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C22H18O4S2
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| Molecular Weight |
410.516
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| Canonical SMILES |
Cc1ccsc1\C=C\C(=O)c1cc(C(=O)\C=C\c2sccc2C)c(O)cc1O
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| InChI |
InChI=1S/C22H18O4S2/c1-13-7-9-27-21(13)5-3-17(23)15-11-16(20(26)12-19(15)25)18(24)4-6-22-14(2)8-10-28-22/h3-12,25-26H,1-2H3/b5-3+,6-4+
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| InChIKey |
CUVFKPHPUWKQAO-GGWOSOGESA-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