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canSAR1765224
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NAMES
    SMILES
    COC(=O)c1sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c2c1C
    InChI
    InChI=1S/C20H19N5O3S/c1-12-14-16(23-11-24-18(14)29-15(12)19(26)27-2)25-13-4-3-9-22-17(13)28-10-20(5-6-20)7-8-21/h3-4,9,11H,5-7,10H2,1-2H3,(H,23,24,25)
    MOLECULAR FORMULA
    C20H19N5O3S
    CROSS REFERENCES
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    canSAR1765224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.12
    AlogP 4.00
    HBond donors 1
    HBond acceptors 8
    Atoms 48
    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 canSAR1765224.