Structure

InChI Key WAOQONBSWFLFPE-TXWZUYSVSA-N
Smiles CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1O[11CH3]
InChI
InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1/i2-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20Cl2N2O3
Molecular Weight 346.24
AlogP 2.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 61.8
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - 1.2 - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2104769
FDA SRS GE077RPG04