General Information of the Compound
| Compound ID |
CP0036542
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| Compound Name |
(phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate
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| Synonyms |
Liserdol (TN)
1,6-Dimethyl-8-beta-carbobenzyloxaminomethyl-10-alpha-ergoline
1-Methyl-8-beta-carbobenzyloxyaminomethyl-10-alpha-ergoline
1-Methyl-N-carbobenzyloxydihydro-D-lysergamin
17692-51-2
AHR 3009
C25H29N3O2
EINECS 241-686-3
FI 6337
FI-6337
Liserdol
MLS000069437
Metergolin
Metergolina
Metergolina [DCIT]
Metergolina [Spanish]
Metergoline
Metergoline [INN:BAN]
Metergolinum
Metergolinum [INN-Latin]
Metergolinum [Latin]
Methergoline
Substance 355/255
UNII-1501393LY5
metergoline
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| Structure |
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
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| InChI |
InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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| InChIKey |
WZHJKEUHNJHDLS-QTGUNEKASA-N
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| CAS |
17692-51-2
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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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound
Drug 1 ( Metergolin )
| Drug Name | Metergolin | ||
|---|---|---|---|
| Indication | |||
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