General Information of the Compound
| Compound ID |
CP0562271
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| Compound Name |
(E)-3-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
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| Formula |
C19H20O2S
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| Molecular Weight |
312.434
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| Canonical SMILES |
COc1c(C)cc(\C=C\C(=O)c2ccc(SC)cc2)cc1C
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| InChI |
InChI=1S/C19H20O2S/c1-13-11-15(12-14(2)19(13)21-3)5-10-18(20)16-6-8-17(22-4)9-7-16/h5-12H,1-4H3/b10-5+
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| InChIKey |
ZMZLMWUNDPFSNY-BJMVGYQFSA-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