1116643 logo
canSAR1116643
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCc1sc(-c2cc(F)cc(OCCNS(C)(=O)=O)c2)nc1CSc1nc(N)cc(N)n1
    InChI
    InChI=1S/C20H25FN6O3S3/c1-3-4-16-15(11-31-20-26-17(22)10-18(23)27-20)25-19(32-16)12-7-13(21)9-14(8-12)30-6-5-24-33(2,28)29/h7-10,24H,3-6,11H2,1-2H3,(H4,22,23,26,27)
    MOLECULAR FORMULA
    C20H25FN6O3S3
    CROSS REFERENCES
    1116643 logo

    canSAR1116643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.11
    AlogP 3.08
    HBond donors 5
    HBond acceptors 9
    Atoms 58
    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 canSAR1116643.