General Information of the Compound
| Compound ID |
CP0047120
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| Compound Name |
1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
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| Synonyms |
1,2,3,6-tetrahydropyridine-5-carboxylic acid
1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid
1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid
1,2,5,6-Tetrahydronicotinic acid
1,2,5,6-tetrahydropyridine-3-carboxylic acid
4-substituted 2,4-dioxobutanoic acids
41538P325K
498-96-4
AC1L1G5E
AC1Q5RCN
BSPBio_003181
Biomol-NT_000253
C10149
CHEBI:5576
Guvacine
KBioSS_001906
Lopac-G-007
Lopac0_000571
MLS000859975
SMR000326834
SpecPlus_000808
Spectrum2_001474
Spectrum3_001511
Spectrum4_001753
Spectrum5_000606
Spectrum_001426
Tocris-0234
UNII-41538P325K
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| Structure |
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| Formula |
C6H9NO2
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| Molecular Weight |
127.143
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| Canonical SMILES |
OC(=O)C1=CCCNC1
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| InChI |
InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
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| InChIKey |
QTDZOWFRBNTPQR-UHFFFAOYSA-N
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| CAS |
498-96-4
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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: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT02528, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3
Clinical Information about the Compound
Drug 1 ( 4-substituted 2,4-dioxobutanoic acids )
| Drug Name | 4-substituted 2,4-dioxobutanoic acids | ||
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