General Information of the Compound
| Compound ID |
CP0074041
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| Compound Name |
3-(2-chloro-4-hydroxyphenyl)-4-ethyl-7-hydroxychromen-2-one
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| Structure |
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| Formula |
C17H13ClO4
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| Molecular Weight |
316.74
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| Canonical SMILES |
CCc1c(-c2ccc(O)cc2Cl)c(=O)oc2cc(O)ccc12
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| InChI |
InChI=1S/C17H13ClO4/c1-2-11-12-5-3-10(20)8-15(12)22-17(21)16(11)13-6-4-9(19)7-14(13)18/h3-8,19-20H,2H2,1H3
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| InChIKey |
VAKXSPIZTBUUHB-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