General Information of the Compound
| Compound ID |
CP0465958
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| Compound Name |
(E)-4-hexoxy-4-oxobut-2-enoic acid
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| Structure |
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| Formula |
C10H16O4
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| Molecular Weight |
200.234
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| Canonical SMILES |
CCCCCCOC(=O)\C=C\C(O)=O
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| InChI |
InChI=1S/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)/b7-6+
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| InChIKey |
RNERBJNDXXEXTK-VOTSOKGWSA-N
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| CAS |
15420-81-2
68512-10-7
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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