General Information of the Compound
| Compound ID |
CP0462771
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| Compound Name |
Butyl fumarate
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| Structure |
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| Formula |
C8H12O4
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| Molecular Weight |
172.18
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| Canonical SMILES |
CCCCOC(=O)\C=C\C(O)=O
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| InChI |
InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4+
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| InChIKey |
UTOVMEACOLCUCK-SNAWJCMRSA-N
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| CAS |
16062-88-7
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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