Common name
1,2,3-trimethylguanidine
IUPAC name
1,2,3-trimethylguanidine
SMILES
N(=C(NC)NC)C
Common name
1,2,3-trimethylguanidine
IUPAC name
1,2,3-trimethylguanidine
SMILES
N(=C(NC)NC)C
INCHI
InChI=1S/C4H11N3/c1-5-4(6-2)7-3/h1-3H3,(H2,5,6,7)
FORMULA
C4H11N3
Common name
1,2,3-trimethylguanidine
IUPAC name
1,2,3-trimethylguanidine
Molecular weight
101.150
clogP
-0.358
clogS
-1.161
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
36.42
Number of Rings
0
Rotatable Bond
2
| 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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jaj_ligand_2_15.mol2 | 2jaj | 0.727273 | -5.94 | CNC(=N)NC | 6 |
| 1wn6_ligand_1_6.mol2 | 1wn6 | 0.636364 | -5.36 | CN(C(=N)N)C | 6 |
| 2z3h_ligand_1_4.mol2 | 2z3h | 0.636364 | -5.13 | N(C(=N)N)(C)C | 6 |
202 ,
21
