General Information of the Compound
| Compound ID |
CP0461102
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(2-pyridin-3-yl-phenyl)-propenone
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| Structure |
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| Formula |
C20H15NO3
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| Molecular Weight |
317.344
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)c2ccccc2-c2cccnc2)cc1O
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| InChI |
InChI=1S/C20H15NO3/c22-18(9-7-14-8-10-19(23)20(24)12-14)17-6-2-1-5-16(17)15-4-3-11-21-13-15/h1-13,23-24H/b9-7+
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| InChIKey |
JAKAHTATZJQAHM-VQHVLOKHSA-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