Common name
N-benzylbenzamide
IUPAC name
N-benzylbenzamide
SMILES
O=C(NCc1ccccc1)c2ccccc2
Common name
N-benzylbenzamide
IUPAC name
N-benzylbenzamide
SMILES
O=C(NCc1ccccc1)c2ccccc2
INCHI
InChI=1S/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
FORMULA
C14H13NO
Common name
N-benzylbenzamide
IUPAC name
N-benzylbenzamide
Molecular weight
211.259
clogP
2.968
clogS
-3.812
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00527 | Trimethobenzamide |
|
Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis. |
| FDBD01074 | Paclitaxel |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Phytogenic; Tubulin Modulators; Antineoplastic and Immunomodulating Agents; Taxanes; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of Kaposi's sarcoma and cancer of the lung, ovarian, and breast. Abraxane® is specfically indicated for the treatment of metastatic breast cancer and locally advanced or metastatic non-small cell lung cancer. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xx3_ligand_3_1.mol2 | 4xx3 | 1 | -7.60 | C(=O)(NCc1ccccc1)c1ccccc1 | 16 |
| 2igy_ligand_3_48.mol2 | 2igy | 1 | -7.54 | O=C(NCc1ccccc1)c1ccccc1 | 16 |
| 1g4o_ligand_3_3.mol2 | 1g4o | 1 | -6.96 | C(NC(=O)c1ccccc1)c1ccccc1 | 16 |
| 1rsd_ligand_3_15.mol2 | 1rsd | 1 | -6.91 | c1(ccccc1)CNC(=O)c1ccccc1 | 16 |
| 1fd7_ligand_3_16.mol2 | 1fd7 | 1 | -6.77 | c1cc(ccc1)C(=O)NCc1ccccc1 | 16 |
| 4ceb_ligand_3_5.mol2 | 4ceb | 1 | -6.68 | C(=O)(NCc1ccccc1)c1ccccc1 | 16 |
110 ,
12
