2020879 logo
canSAR2020879
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1SC1CCCCC1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C26H33N3OS.C2HF3O2/c1-30-22-16-15-19(18-23(22)31-21-12-6-3-7-13-21)25-26(27-20-10-4-2-5-11-20)29-17-9-8-14-24(29)28-25;3-2(4,5)1(6)7/h8-9,14-18,20-21,27H,2-7,10-13H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C28H34F3N3O3S
    CROSS REFERENCES
    2020879 logo

    canSAR2020879

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.23
    AlogP 7.81
    HBond donors 2
    HBond acceptors 6
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2020879.