Common name
4-propylpiperazine-2,6-dione
IUPAC name
4-propylpiperazine-2,6-dione
SMILES
C(CC)N1CC(=O)NC(=O)C1
Common name
4-propylpiperazine-2,6-dione
IUPAC name
4-propylpiperazine-2,6-dione
SMILES
C(CC)N1CC(=O)NC(=O)C1
INCHI
InChI=1S/C7H12N2O2/c1-2-3-9-4-6(10)8-7(11)5-9/h2-5H2,1H3,(H,8,10,11)
FORMULA
C7H12N2O2
Common name
4-propylpiperazine-2,6-dione
IUPAC name
4-propylpiperazine-2,6-dione
Molecular weight
156.182
clogP
0.481
clogS
-1.337
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
49.41
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00262 | Dexrazoxane |
|
Antineoplastic Agents; Cardiotonic Agents; Chelating Agents; Cardiovascular Agents; Topoisomerase II Inhibitors; Detoxifying Agents for Antineoplastic Treatment; | For reducing the incidence and severity of cardiomyopathy associated with doxorubicin administration in women with metastatic breast cancer who have received a cumulative doxorubicin hydrochloride dose of 300 mg/m^2 and would benefit from continued doxorubicin therapy. Also approved for the treatment of extravasation from intravenous anthracyclines. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bks_ligand_1_4.mol2 | 2bks | 0.935484 | -5.67 | [C@@H]1(C[NH2+]CC(=O)N1)C | 8 |
| 3fbr_ligand.mol2 | 3fbr | 0.823529 | -4.39 | [NH3+][C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C=O)C)C)C)C)C)C | 43 |
| 1mnc_ligand_6_62.mol2 | 1mnc | 0.818182 | -6.89 | C[C@@H](C(=O)NC)NC(=O)C(C)C | 12 |
| 1rm8_ligand_6_825.mol2 | 1rm8 | 0.818182 | -6.84 | C(=O)(N[C@H](C(=O)NC)C)C(C)C | 12 |
420 ,
43
