canSAR1710981
FEATURES
Loading...
NAMES
    SMILES
    Cc1nc2nc(SCC(=O)NCCN3CCOCC3)nn2c(C)c1Cc1ccccc1
    InChI
    InChI=1S/C22H28N6O2S/c1-16-19(14-18-6-4-3-5-7-18)17(2)28-21(24-16)25-22(26-28)31-15-20(29)23-8-9-27-10-12-30-13-11-27/h3-7H,8-15H2,1-2H3,(H,23,29)
    MOLECULAR FORMULA
    C22H28N6O2S
    CROSS REFERENCES
    Loading...
    canSAR1710981
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight440.20
    AlogP1.87
    HBond donors1
    HBond acceptors8
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1710981.