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canSAR1528381
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NAMES
    SMILES
    CCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
    InChI
    InChI=1S/C17H20Cl2N6O2S/c1-2-20-15-22-16(25-5-7-27-8-6-25)24-17(23-15)28-10-14(26)21-11-3-4-12(18)13(19)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,21,26)(H,20,22,23,24)
    MOLECULAR FORMULA
    C17H20Cl2N6O2S
    CROSS REFERENCES
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    canSAR1528381

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.07
    AlogP 3.18
    HBond donors 2
    HBond acceptors 8
    Atoms 48
    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 canSAR1528381.