General Information of the Compound
| Compound ID |
CP0076352
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| Compound Name |
9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline; compound with methanesulfonic acid
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| Synonyms |
(6aR,9R,10aR)-9-(Methylthiomethyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
(8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline
(8beta)-8-[(methylthio)methyl]-6-propylergoline
LY-127,809
Pergolida
Pergolida [INN-Spanish]
Pergolide
Pergolide (INN)
Pergolide [INN:BAN]
Pergolidum
Pergolidum [INN-Latin]
Permax
Permax (TN)
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| Structure |
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| Formula |
C19H26N2S
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| Molecular Weight |
314.498
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| Canonical SMILES |
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
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| InChI |
InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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| InChIKey |
YEHCICAEULNIGD-MZMPZRCHSA-N
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| CAS |
66104-22-1
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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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Clinical Information about the Compound