Common name
N-isopentylformamide
IUPAC name
N-isopentylformamide
SMILES
C(C)(C)CCNC=O
Common name
N-isopentylformamide
IUPAC name
N-isopentylformamide
SMILES
C(C)(C)CCNC=O
INCHI
InChI=1S/C6H13NO/c1-6(2)3-4-7-5-8/h5-6H,3-4H2,1-2H3,(H,7,8)
FORMULA
C6H13NO
Common name
N-isopentylformamide
IUPAC name
N-isopentylformamide
Molecular weight
115.174
clogP
0.742
clogS
-1.457
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00077 | Bortezomib |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of multiple myeloma in patients who have not been successfully treated with at least two previous therapies. |
| FDBD00769 | Repaglinide |
|
Hypoglycemic Agents; Antidiabetic Agents; Meglitinides; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b3g_ligand_3_308.mol2 | 1b3g | 1 | -6.49 | C(C)[C@H](C)CNC=O | 8 |
| 1b9j_ligand_3_281.mol2 | 1b9j | 1 | -6.46 | C(CC(C)C)NC=O | 8 |
| 2v12_ligand_4_2565.mol2 | 2v12 | 1 | -6.40 | C(C)(C)[C@H](C)CNC=O | 9 |
| 3duy_ligand_3_710.mol2 | 3duy | 1 | -6.39 | C(=O)NCCC(C)C | 8 |
| 2p4j_ligand_3_396.mol2 | 2p4j | 1 | -6.34 | C(C(C)C)CNC=O | 8 |
| 3d3x_ligand_3_34.mol2 | 3d3x | 1 | -6.34 | [C@H](C)(CC)CNC=O | 8 |
| 4trw_ligand_3_914.mol2 | 4trw | 1 | -6.34 | C(=O)NCCC(C)C | 8 |
| 2hob_ligand_3_516.mol2 | 2hob | 1 | -6.33 | C(NC=O)CC(C)C | 8 |
352 ,
36
