185995 logo
canSAR185995
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC(O)CN)CC2)CC1
    InChI
    InChI=1S/C22H36ClN5O3/c1-31-21-11-20(25)19(23)10-18(21)22(30)26-16-4-8-27(9-5-16)13-15-2-6-28(7-3-15)14-17(29)12-24/h10-11,15-17,29H,2-9,12-14,24-25H2,1H3,(H,26,30)
    MOLECULAR FORMULA
    C22H36ClN5O3
    CROSS REFERENCES
    185995 logo

    canSAR185995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.25
    AlogP 1.16
    HBond donors 6
    HBond acceptors 8
    Atoms 67
    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 canSAR185995.