110744 logo
canSAR110744
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Oc1nc2ccccc2n1CCCN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1
    InChI
    InChI=1S/C29H32N6O/c36-29-32-25-12-5-6-13-26(25)34(29)18-8-17-33-19-15-23(16-20-33)30-28-31-24-11-4-7-14-27(24)35(28)21-22-9-2-1-3-10-22/h1-7,9-14,23H,8,15-21H2,(H,30,31)(H,32,36)
    MOLECULAR FORMULA
    C29H32N6O
    CROSS REFERENCES
    110744 logo

    canSAR110744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.26
    AlogP 5.11
    HBond donors 2
    HBond acceptors 7
    Atoms 68
    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 canSAR110744.