Common name
tert-butyl carbamate
IUPAC name
tert-butyl carbamate
SMILES
O(C(=O)N)C(C)(C)C
Common name
tert-butyl carbamate
IUPAC name
tert-butyl carbamate
SMILES
O(C(=O)N)C(C)(C)C
INCHI
InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)
FORMULA
C5H11NO2
Common name
tert-butyl carbamate
IUPAC name
tert-butyl carbamate
Molecular weight
117.146
clogP
-0.376
clogS
-0.368
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01092 | Docetaxel |
|
Antineoplastic Agents; Immunosuppressive Agents; Tubulin Modulators; Antineoplastic and Immunomodulating Agents; Taxanes; CYP3A4 Inhibitors; | For the treatment of patients with locally advanced or metastatic breast cancer after failure of prior chemotherapy. Also used as a single agent in the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of prior platinum-based chemotherapy. It is also used in combination with prednisone, in the treatment of patients with androgen independent (hormone refractory) metastatic prostate cancer. Furthermore, docetaxel has uses in the treatment of gastric adenocarinoma and head and neck cancer. |
| FDBD01474 | Cabazitaxel |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Taxanes; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For treatment of patients with hormone-refractory metastatic prostate cancer previously treated with a docetaxel-containing treatment regimen. |
| FDBD03037 | picarbutrazox |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4y2u_ligand_1_1.mol2 | 4y2u | 1 | -6.72 | C(C)(C)(C)OC(=O)N | 8 |
| 1q6k_ligand_1_2.mol2 | 1q6k | 1 | -6.59 | C(C)(C)(C)OC(=O)N | 8 |
| 1m0b_ligand_1_0.mol2 | 1m0b | 1 | -6.38 | O=C(OC(C)(C)C)N | 8 |
| 1zsr_ligand_1_0.mol2 | 1zsr | 1 | -6.37 | O=C(OC(C)(C)C)N | 8 |
| 1zsf_ligand_1_0.mol2 | 1zsf | 1 | -6.36 | O=C(OC(C)(C)C)N | 8 |
| 1iiq_ligand_1_0.mol2 | 1iiq | 1 | -6.34 | O=C(OC(C)(C)C)N | 8 |
| 1lzq_ligand_1_0.mol2 | 1lzq | 1 | -6.34 | O=C(OC(C)(C)C)N | 8 |
135 ,
14
