114289 logo
canSAR114289
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
    InChI
    InChI=1S/C24H21FN4O5S2/c25-17-5-1-4-8-21(17)35(31,32)28-20(24-26-18-6-2-3-7-19(18)27-24)13-15-9-11-16(12-10-15)22-14-23(30)29-36(22,33)34/h1-12,20,22,28H,13-14H2,(H,26,27)(H,29,30)
    MOLECULAR FORMULA
    C24H21FN4O5S2
    CROSS REFERENCES
    114289 logo

    canSAR114289

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.09
    AlogP 2.86
    HBond donors 3
    HBond acceptors 9
    Atoms 57
    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 canSAR114289.