General Information of the Compound
| Compound ID |
CP0221360
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| Compound Name |
(E)-3-(3,4,5-Trimethoxybenzylidene)chroman-4-one
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| Structure |
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| Formula |
C19H18O5
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| Molecular Weight |
326.348
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| Canonical SMILES |
COc1cc(\C=C2/COc3ccccc3C2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C19H18O5/c1-21-16-9-12(10-17(22-2)19(16)23-3)8-13-11-24-15-7-5-4-6-14(15)18(13)20/h4-10H,11H2,1-3H3/b13-8+
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| InChIKey |
HXKRMVAESHQPKO-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