1445408 logo
canSAR1445408
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2.Cl.Cl.O
    InChI
    InChI=1S/C30H44N6O2.2ClH.H2O/c1-21-22(2)28-24(23(3)27(21)37)9-10-30(4,38-28)20-33-15-17-35(18-16-33)26-19-25(34-11-5-6-12-34)31-29(32-26)36-13-7-8-14-36;;;/h19,37H,5-18,20H2,1-4H3;2*1H;1H2
    MOLECULAR FORMULA
    C30H48Cl2N6O3
    CROSS REFERENCES
    1445408 logo

    canSAR1445408

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 610.32
    AlogP 4.23
    HBond donors 3
    HBond acceptors 9
    Atoms 89
    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 canSAR1445408.