General Information of the Compound
| Compound ID |
CP0428640
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| Compound Name |
(E)-3-(2-chlorophenyl)-1-(2-hydroxynaphthalen-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C19H13ClO2
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| Molecular Weight |
308.764
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| Canonical SMILES |
Oc1ccc2ccccc2c1C(=O)\C=C\c1ccccc1Cl
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| InChI |
InChI=1S/C19H13ClO2/c20-16-8-4-2-6-14(16)10-12-18(22)19-15-7-3-1-5-13(15)9-11-17(19)21/h1-12,21H/b12-10+
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| InChIKey |
PLUBRJKWDXVFIA-ZRDIBKRKSA-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