Common name
N-(ethylcarbamoyl)formamide
IUPAC name
N-(ethylcarbamoyl)formamide
SMILES
C(C)NC(=O)NC=O
Common name
N-(ethylcarbamoyl)formamide
IUPAC name
N-(ethylcarbamoyl)formamide
SMILES
C(C)NC(=O)NC=O
INCHI
InChI=1S/C4H8N2O2/c1-2-5-4(8)6-3-7/h3H,2H2,1H3,(H2,5,6,7,8)
FORMULA
C4H8N2O2
Common name
N-(ethylcarbamoyl)formamide
IUPAC name
N-(ethylcarbamoyl)formamide
Molecular weight
116.119
clogP
-0.815
clogS
-0.619
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00136 | Cabergoline |
|
Antineoplastic Agents; Antiparkinson Agents; Dopamine Agonists; Genito Urinary System and Sex Hormones; Nervous System; Anti-Parkinson Drugs; Prolactine Inhibitors; Dopaminergic Agents; CYP3A4 Inhibitors; | For the treatment of hyperprolactinemic disorders, either idiopathic or due to prolactinoma (prolactin-secreting adenomas). May also be used to manage symptoms of Parkinsonian Syndrome as monotherapy during initial symptomatic management or as an adjunct to levodopa therapy during advanced stages of disease. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mc6_ligand_2_24.mol2 | 4mc6 | 0.833333 | -6.60 | C(C)(C)(C)NC(=O)NC | 9 |
| 4mc6_ligand_3_53.mol2 | 4mc6 | 0.789474 | -6.88 | C(C)(C)(C)NC(=O)NCC | 10 |
| 2yix_ligand_2_0.mol2 | 2yix | 0.777778 | -6.28 | CCNC(=O)NC | 7 |
| 4x6n_ligand_3_40.mol2 | 4x6n | 0.777778 | -5.80 | C(=O)(NCC)NC | 7 |
116 ,
12
