General Information of the Compound
| Compound ID |
CP0448562
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| Compound Name |
3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-methoxy-pyrrolidin-2-one
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| Synonyms |
107746-52-1
2-Pyrrolidinone, 3-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-1-methoxy-
3-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-1-methoxy-2-pyrrolidinone
3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-methoxy-pyrrolidin-2-one
AC1O5P5J
BDBM50008954
CHEMBL12594
E 5110
E-5110
LS-138638
N-Methoxy-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-pyrrolidone
N-methoxy-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-one
SCHEMBL5323330
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| Structure |
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| Formula |
C20H29NO3
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| Molecular Weight |
331.456
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| Canonical SMILES |
CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
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| InChIKey |
NJTQENWDJVHUOX-GXDHUFHOSA-N
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| CAS |
107746-52-1
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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
Clinical Information about the Compound