Structure

InChI Key CMDJNMACGABCKQ-XVSRHIFFSA-N
Smile C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12.Cl.O.O
InChI
InChI=1S/C15H18FN3O2S.ClH.2H2O/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14;;;/h2,4-5,9-11,17H,3,6-8H2,1H3;1H;2*1H2/t11-;;;/m0.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23ClFN3O4S
Molecular Weight 395.88
AlogP 1.75
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 62.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Rho-associated protein kinase inhibitor PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594454
FDA SRS 016TTR32QF
SureChEMBL SCHEMBL20557243