Common name
N,N-dimethylaniline
IUPAC name
N,N-dimethylaniline
SMILES
CN(C)c1ccccc1
Common name
N,N-dimethylaniline
IUPAC name
N,N-dimethylaniline
SMILES
CN(C)c1ccccc1
INCHI
InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
FORMULA
C8H11N
Common name
N,N-dimethylaniline
IUPAC name
N,N-dimethylaniline
Molecular weight
121.180
clogP
1.416
clogS
-1.703
Frequency
0.0045
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01810 | Osimertinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy. |
| FDBD02441 | cambendichlor |
|
Herbicide | Herbicide |
| FDBD03248 | fenaminosulf |
|
Fungicide | Fungicide |
13 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k3h_ligand_1_3.mol2 | 4k3h | 1 | -7.00 | c1ccc(cc1)N(C)C | 9 |
| 3fui_ligand_2_12.mol2 | 3fui | 1 | -6.99 | c1ccc(cc1)NC | 8 |
| 4k3h_ligand_1_4.mol2 | 4k3h | 1 | -6.96 | c1ccc(cc1)N(C)C | 9 |
| 3ftw_ligand_2_1.mol2 | 3ftw | 1 | -6.93 | c1ccccc1NC | 8 |
| 3ftv_ligand_2_1.mol2 | 3ftv | 1 | -6.92 | c1ccccc1NC | 8 |
| 2hz0_ligand_2_25.mol2 | 2hz0 | 1 | -6.89 | CNc1ccccc1 | 8 |
| 5ew3_ligand_2_12.mol2 | 5ew3 | 1 | -6.83 | c1ccc(cc1)NC | 8 |
| 3hng_ligand_2_7.mol2 | 3hng | 1 | -6.82 | c1c(cccc1)NC | 8 |
| 4kmz_ligand_2_6.mol2 | 4kmz | 1 | -6.72 | N(c1ccccc1)C | 8 |
120 ,
13
