498436 logo
canSAR498436
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Oc1nc2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2s1
    InChI
    InChI=1S/C23H23N3OS/c27-23-24-20-9-8-17(16-22(20)28-23)10-11-25-12-14-26(15-13-25)21-7-3-5-18-4-1-2-6-19(18)21/h1-9,16H,10-15H2,(H,24,27)
    MOLECULAR FORMULA
    C23H23N3OS
    CROSS REFERENCES
    498436 logo

    canSAR498436

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.16
    AlogP 4.52
    HBond donors 1
    HBond acceptors 4
    Atoms 51
    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 canSAR498436.