Common name
N-ethylaniline
IUPAC name
N-ethylaniline
SMILES
C(C)Nc1ccccc1
Common name
N-ethylaniline
IUPAC name
N-ethylaniline
SMILES
C(C)Nc1ccccc1
INCHI
InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
FORMULA
C8H11N
Common name
N-ethylaniline
IUPAC name
N-ethylaniline
Molecular weight
121.180
clogP
1.860
clogS
-2.436
Frequency
0.0021
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
| FDBD01204 | Aprindine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; CYP2D6 Inducers; CYP2D6 Inducers (strong); | |
| FDBD01668 | Tetracaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid; | |
| FDBD01705 | Isosulfan blue |
|
; | |
| FDBD01759 | Efonidipine |
|
; | For the treatment of hypertension. |
| FDBD02441 | cambendichlor |
|
Herbicide | Herbicide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lxf_ligand_4_159.mol2 | 1lxf | 1 | -6.84 | CCN(c1ccccc1)C | 10 |
| 1lxf_ligand_3_72.mol2 | 1lxf | 1 | -6.75 | CCNc1ccccc1 | 9 |
| 4hj2_ligand_4_2310.mol2 | 4hj2 | 1 | -6.68 | CN(CC)c1ccccc1 | 10 |
| 4hj2_ligand_3_625.mol2 | 4hj2 | 1 | -6.62 | CCNc1ccccc1 | 9 |
| 3d0b_ligand_3_10.mol2 | 3d0b | 1 | -6.59 | C(Nc1ccccc1)C | 9 |
| 2g2r_ligand_3_25.mol2 | 2g2r | 1 | -6.53 | C(C)N(c1ccccc1)C | 10 |
| 4q6e_ligand_3_6.mol2 | 4q6e | 1 | -6.46 | C(Nc1ccccc1)C | 9 |
| 2vj9_ligand_2_7.mol2 | 2vj9 | 1 | -6.39 | C(C)Nc1ccccc1 | 9 |
157 ,
16
