General Information of the Compound
| Compound ID |
CP0095207
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| Compound Name |
substituted chalcone, 5i
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| Structure |
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| Formula |
C16H13ClO3
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| Molecular Weight |
288.73
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| Canonical SMILES |
COc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
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| InChI |
InChI=1S/C16H13ClO3/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-10,19H,1H3/b9-4+
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| InChIKey |
PSHLSUYKYJMBFH-RUDMXATFSA-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