393145 logo
canSAR393145
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)C[C@H](NC(=O)C1CCCn2c(/C=C/C3CCNCC3)nnc21)c1cccnc1
    InChI
    InChI=1S/C22H28N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,5-6,9,14-15,17-18,23H,2,4,7-8,10-13H2,(H,25,31)(H,29,30)/b6-5+/t17?,18-/m0/s1
    MOLECULAR FORMULA
    C22H28N6O3
    CROSS REFERENCES
    393145 logo

    canSAR393145

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.22
    AlogP 1.90
    HBond donors 3
    HBond acceptors 9
    Atoms 59
    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 canSAR393145.