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canSAR2052231
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NAMES
    SMILES
    Cc1n[nH]c(C)c1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3
    InChI
    InChI=1S/C20H26N6S/c1-12-16(13(2)25-24-12)18-22-19(26-10-5-8-21-9-11-26)17-14-6-3-4-7-15(14)27-20(17)23-18/h21H,3-11H2,1-2H3,(H,24,25)
    MOLECULAR FORMULA
    C20H26N6S
    CROSS REFERENCES
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    canSAR2052231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.19
    AlogP 3.38
    HBond donors 2
    HBond acceptors 6
    Atoms 53
    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 canSAR2052231.