General Information of the Compound
| Compound ID |
CP0175614
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| Compound Name |
8-(3-chlorostyryl)caffeine
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| Synonyms |
(E)-8-(3-chlorostyryl)-caffeine
148589-13-3
1H-Purine-2,6-dione, 8-(2-(3-chlorophenyl)methyl)-3,7-dihydro-1,3,7-trimethyl-
8-(2-(3-Chlorophenyl)methyl)-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
8-(3-Chlorostyryl)caffeine
8-(3-chlorostyryl) caffine
8-CSC
8-[(E)-2-(3-Chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
AC1NS448
AOB5970
CHEBI:53115
CHEMBL26138
CSC
Csc cpd
DTXSID60872447
GTPL5609
Lopac0_000393
MLS000860039
SCHEMBL537055
cid_5353365
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| Structure |
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| Formula |
C16H15ClN4O2
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| Molecular Weight |
330.775
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| Canonical SMILES |
Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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| InChIKey |
WBWFIUAVMCNYPG-BQYQJAHWSA-N
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| CAS |
148589-13-3
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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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound