General Information of the Compound
| Compound ID |
CP0532431
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| Compound Name |
Benzyl fumarate
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| Structure |
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| Formula |
C11H10O4
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| Molecular Weight |
206.197
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| Canonical SMILES |
OC(=O)\C=C\C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C11H10O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)/b7-6+
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| InChIKey |
QKUGKZFASYQCGO-VOTSOKGWSA-N
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| CAS |
93919-06-3
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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