General Information of the Compound
| Compound ID |
CP0455979
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| Compound Name |
3-phenyl-1,4-benzodioxin-2-carbaldehyde
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| Structure |
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| Formula |
C15H10O3
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| Molecular Weight |
238.242
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| Canonical SMILES |
O=CC1=C(Oc2ccccc2O1)c1ccccc1
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| InChI |
InChI=1S/C15H10O3/c16-10-14-15(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)17-14/h1-10H
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| InChIKey |
BQFFKKHQXOJXBD-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
Protein ID: PT06417, Acyl-homoserine lactone acylase PvdQ
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic