Guvacine
PubChem CID: 3532
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| Compound Synonyms | Guvacine, 498-96-4, 1,2,5,6-tetrahydropyridine-3-carboxylic acid, 1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid, 1,2,5,6-Tetrahydronicotinic acid, 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid, 1,2,3,6-tetrahydropyridine-5-carboxylic acid, CHEBI:5576, GUVACINE [MI], 41538P325K, DTXSID50871702, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, MLS000859975, SMR000326834, UNII-41538P325K, MFCD01365700, Spectrum_001426, Tocris-0234, SpecPlus_000808, Lopac-G-007, Spectrum2_001474, Spectrum3_001511, Spectrum4_001753, Spectrum5_000606, Biomol-NT_000253, C10149, Lopac0_000571, BSPBio_003181, KBioGR_002226, KBioSS_001906, CHEMBL76768, DivK1c_006904, SCHEMBL336053, SPBio_001427, BPBio1_000838, GTPL4691, BDBM90787, KBio1_001848, KBio2_001906, KBio2_004474, KBio2_007042, KBio3_002681, DTXCID80819339, cid_11957555, QTDZOWFRBNTPQR-UHFFFAOYSA-N, HY-N2482, ZINC03872753, AKOS006282520, CCG-204660, DB08848, FS-8105, SB37356, SDCCGMLS-0066665.P001, SDCCGSBI-0050553.P003, NCGC00015457-01, NCGC00015457-02, NCGC00015457-03, NCGC00015457-04, NCGC00015457-05, NCGC00015457-08, NCGC00024508-01, NCGC00024508-02, NCGC00024508-03, DA-73950, 1ST169082, CS-0022753, NS00069502, EN300-261948, F13202, 1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate, BRD-K01980392-003-11-6, Q15322708 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)C=CCCNC6 |
| Heavy Atom Count | 9.0 |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,6-tetrahydropyridine-5-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | -2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H9NO2 |
| Scaffold Graph Node Bond Level | C1=CCNCC1 |
| Inchi Key | QTDZOWFRBNTPQR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | guvacine |
| Esol Class | Highly soluble |
| Functional Groups | CC=C(C)C(=O)O, CNC |
| Compound Name | Guvacine |
| Exact Mass | 127.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9) |
| Smiles | C1CNCC(=C1)C(=O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Areca Catechu (Plant) Rel Props:Reference:ISBN:9788172361266; ISBN:9788172362140