General Information of the Compound
| Compound ID |
CP0010826
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| Compound Name |
(Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate
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| Synonyms |
56995-20-1
C15H17FN4O2
Carbamic acid, (2-amino-6-(((4-fluorophenyl)methyl)amino)-3-pyridinyl)-, ethyl ester
Carbamic acid, [2-ami
D 9998
EINECS 260-503-8
Flupirtin
Flupirtine
Flupirtine [INN:BAN]
Flupirtino
Flupirtino [INN-Spanish]
Flupirtinum
Flupirtinum [INN-Latin]
JUUFBMODXQKSTD-UHFFFAOYSA-N
MLS002153180
MOH3ET196H
NCGC00015451-03
SMR001230672
UNII-MOH3ET196H
ethyl 2-amino-6-(4-fluorobenzylamino)pyridin-3-ylcarbamate
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate
flupirtin maleate
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| Structure |
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| Formula |
C15H17FN4O2
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| Molecular Weight |
304.325
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| Canonical SMILES |
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
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| InChI |
InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)
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| InChIKey |
JUUFBMODXQKSTD-UHFFFAOYSA-N
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| CAS |
56995-20-1
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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
Clinical Information about the Compound