Common name
N,N'-dimethylformamidine
IUPAC name
N,N'-dimethylformamidine
SMILES
N(C=NC)C
Common name
N,N'-dimethylformamidine
IUPAC name
N,N'-dimethylformamidine
SMILES
N(C=NC)C
INCHI
InChI=1S/C3H8N2/c1-4-3-5-2/h3H,1-2H3,(H,4,5)
FORMULA
C3H8N2
Common name
N,N'-dimethylformamidine
IUPAC name
N,N'-dimethylformamidine
Molecular weight
72.109
clogP
0.071
clogS
-0.660
Frequency
0.0014
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
24.39
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00105 | Bethanidine |
|
Antihypertensive Agents; Adrenergic Agents; Sympatholytics; Cardiovascular System; Guanidine Derivatives; Antiadrenergic Agents, Peripherally Acting; Alpha2 Agonists; | For the treatment of hypertension. |
| FDBD00374 | Cimetidine |
|
Anti-Ulcer Agents; Adjuvants; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment and the management of acid-reflux disorders (GERD), peptic ulcer disease, heartburn, and acid indigestion. |
| FDBD02020 | clothianidin |
|
Insecticide | Insecticide |
| FDBD02021 | dinotefuran |
|
Insecticide | Insecticide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w9u_ligand_1_1.mol2 | 1w9u | 0.625 | -4.94 | CNC=[NH2] | 4 |
| 1wn6_ligand_1_6.mol2 | 1wn6 | 0.5 | -5.36 | CN(C(=N)N)C | 6 |
| 2z3h_ligand_1_4.mol2 | 2z3h | 0.5 | -5.13 | N(C(=N)N)(C)C | 6 |
| 2jaj_ligand_2_15.mol2 | 2jaj | 0.454545 | -5.94 | CNC(=N)NC | 6 |
110 ,
12
