176813 logo
canSAR176813
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1
    InChI
    InChI=1S/C27H35N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2,(H,28,31)
    MOLECULAR FORMULA
    C27H35N3O
    CROSS REFERENCES
    176813 logo

    canSAR176813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.28
    AlogP 5.15
    HBond donors 1
    HBond acceptors 4
    Atoms 66
    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 canSAR176813.