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canSAR1619172
FEATURES
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NAMES
    SMILES
    COc1ccccc1NC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2C1c1cccnc1
    InChI
    InChI=1S/C26H23FN6O2S/c1-16-22(24(34)30-20-11-5-6-12-21(20)35-2)23(17-9-7-13-28-14-17)33-25(29-16)31-26(32-33)36-15-18-8-3-4-10-19(18)27/h3-14,23H,15H2,1-2H3,(H,30,34)(H,29,31,32)
    MOLECULAR FORMULA
    C26H23FN6O2S
    CROSS REFERENCES
    1619172 logo

    canSAR1619172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.16
    AlogP 5.04
    HBond donors 2
    HBond acceptors 8
    Atoms 59
    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 canSAR1619172.