Common name
2-vinylpyridine
IUPAC name
2-vinylpyridine
SMILES
n1c(cccc1)C=C
Common name
2-vinylpyridine
IUPAC name
2-vinylpyridine
SMILES
n1c(cccc1)C=C
INCHI
InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2
FORMULA
C7H7N
Common name
2-vinylpyridine
IUPAC name
2-vinylpyridine
Molecular weight
105.137
clogP
2.170
clogS
-1.794
Frequency
0.0010
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00304 | Triprolidine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Respiratory System; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the symptomatic relief of seasonal or perennial allergic rhinitis or nonallergic rhinitis; allergic conjunctivitis; and mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Also used in combination with other agents for the symptomatic relief of symptoms associated with the common cold. |
| FDBD01636 | Vorapaxar |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | Vorapaxar is indicated for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or peripheral arterial disease (PAD). It is usually co-administered with acetylsalicylic acid (ASA) and/or clopidogrel, and should therefore be administered as an addition to these medications as it has not been studied alone. |
| FDBD01826 | Acrivastine |
|
Respiratory System; Antihistamines for Systemic Use; | For the relief of symptoms associated with seasonal allergic rhinitis such as sneezing, rhinorrhea, pruritus, lacrimation, and nasal congestion. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rw8_ligand_frag_1.mol2 | 1rw8 | 0.72973 | -6.65 | c1cccc(n1)C | 7 |
| 3hmm_ligand_frag_0.mol2 | 3hmm | 0.72973 | -6.61 | c1(ccccn1)C | 7 |
| 1vjy_ligand_frag_0.mol2 | 1vjy | 0.72973 | -6.60 | Cc1ccccn1 | 7 |
| 3gxl_ligand_frag_0.mol2 | 3gxl | 0.72973 | -6.52 | Cc1ccccn1 | 7 |
| 4hgs_ligand_1_1.mol2 | 4hgs | 0.72973 | -6.51 | c1cc(ncc1)C | 7 |
| 4wnk_ligand_1_2.mol2 | 4wnk | 0.72973 | -6.45 | c1(ccccn1)C | 7 |
| 4hgt_ligand_1_1.mol2 | 4hgt | 0.72973 | -6.43 | Cc1ccccn1 | 7 |
117 ,
12
