General Information of the Compound
| Compound ID |
CP0441258
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| Compound Name |
(E)-3-(2-chlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
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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\c2ccccc2Cl)c(O)c1
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| InChI |
InChI=1S/C16H13ClO3/c1-20-12-7-8-13(16(19)10-12)15(18)9-6-11-4-2-3-5-14(11)17/h2-10,19H,1H3/b9-6+
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| InChIKey |
ODHIKTBXCYVAFQ-RMKNXTFCSA-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