558568 logo
canSAR558568
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cl.NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
    InChI
    InChI=1S/C21H26FN5.ClH/c22-17-7-5-16(6-8-17)15-27-20-4-2-1-3-19(20)25-21(27)24-18-9-12-26(13-10-18)14-11-23;/h1-8,18H,9-15,23H2,(H,24,25);1H
    MOLECULAR FORMULA
    C21H27ClFN5
    CROSS REFERENCES
    558568 logo

    canSAR558568

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.19
    AlogP 3.48
    HBond donors 3
    HBond acceptors 5
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR558568.