General Information of the Compound
| Compound ID |
CP0436573
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| Compound Name |
6-methyl-3-(3',4',5'-trimethoxy)phenylcumarin
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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(cc(OC)c1OC)-c1cc2cc(C)ccc2oc1=O
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| InChI |
InChI=1S/C19H18O5/c1-11-5-6-15-13(7-11)8-14(19(20)24-15)12-9-16(21-2)18(23-4)17(10-12)22-3/h5-10H,1-4H3
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| InChIKey |
VSMSVQNSANDIFA-UHFFFAOYSA-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