General Information of the Compound
| Compound ID |
CP0013486
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| Compound Name |
(ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-2,3-dihydro-1H-indolizin-5-one
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| Synonyms |
6-(2-(4-(bis(4-fluorophenyl)methylene)piperidin-1-yl)ethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
87051-43-2
C27H25F2N3OS
CHEMBL267777
MLS000069360
N,N-dialkyl-dipeptidylamines
R 55,667
R-55667
Ritanserin
Ritanserina
Ritanserina [Spanish]
Ritanserine
Ritanserine [French]
Ritanserinum
Ritanserinum [Latin]
Tiserton
UNII-145TFV465S
ritanserin
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| Structure |
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| Formula |
C27H25F2N3OS
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| Molecular Weight |
477.58
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| Canonical SMILES |
Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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| InChIKey |
JUQLTPCYUFPYKE-UHFFFAOYSA-N
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| CAS |
87051-43-2
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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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT04465, Diacylglycerol kinase alpha
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound