General Information of the Compound
| Compound ID |
CP0037955
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| Compound Name |
METHIOTHEPIN
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| Synonyms |
(+-)-1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
(+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin
(+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin
1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
20229-30-5
BRN 0626221
CHEBI:64203
DSSTox_CID_24000
METHIOTHEPIN
Methiothepine
Metitepina
Metitepina [INN-Spanish]
Metitepine
Metitepine [INN]
Metitepinum
Metitepinum [INN-Latin]
NCGC00024665-03
methiothepin
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| Structure |
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| Formula |
C20H24N2S2
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| Molecular Weight |
356.56
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| Canonical SMILES |
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
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| InChI |
InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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| InChIKey |
RLJFTICUTYVZDG-UHFFFAOYSA-N
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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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Protein ID: PT06109, Geminin
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound