1431817 logo
canSAR1431817
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOc1ccc(OCC)c(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1
    InChI
    InChI=1S/C27H30N4O3/c1-5-33-18-9-10-23(34-6-2)19(12-18)24-20(15-28)26(29)31(17-8-7-11-30-16-17)21-13-27(3,4)14-22(32)25(21)24/h7-12,16,24H,5-6,13-14,29H2,1-4H3
    MOLECULAR FORMULA
    C27H30N4O3
    CROSS REFERENCES
    1431817 logo

    canSAR1431817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.23
    AlogP 4.82
    HBond donors 2
    HBond acceptors 7
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1431817.