General Information of the Compound
| Compound ID |
CP0455512
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| Compound Name |
3-(4-methylphenyl)-6-(2-oxopropoxy)chromen-2-one
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| Structure |
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| Formula |
C19H16O4
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| Molecular Weight |
308.333
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| Canonical SMILES |
CC(=O)COc1ccc2oc(=O)c(cc2c1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C19H16O4/c1-12-3-5-14(6-4-12)17-10-15-9-16(22-11-13(2)20)7-8-18(15)23-19(17)21/h3-10H,11H2,1-2H3
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| InChIKey |
DUIUWPGAKIPAND-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