General Information of the Compound
| Compound ID |
CP0357968
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| Compound Name |
CHEBI:77317
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| Synonyms |
126411-39-0
1ilh
4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol
AC1L9JHO
CHEBI:77317
CHEMBL458767
GW 485801
SR 12813
SR-12813
SR12813
SRL
Tetraethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethenyl-1,1-bisphosphonate
[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-phosphonic acid tetraethyl ester
tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate)
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| Structure |
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| Formula |
C24H42O7P2
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| Molecular Weight |
504.541
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| Canonical SMILES |
CCOP(=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC
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| InChI |
InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
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| InChIKey |
YQLJDECYQDRSBI-UHFFFAOYSA-N
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| CAS |
126411-39-0
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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: PT02011, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Clinical Information about the Compound