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canSAR1987547
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NAMES
    SMILES
    COc1ccc(N=C(S)N2CCC(c3nc4ccccc4[nH]3)CC2)c(OC)c1
    InChI
    InChI=1S/C21H24N4O2S/c1-26-15-7-8-18(19(13-15)27-2)24-21(28)25-11-9-14(10-12-25)20-22-16-5-3-4-6-17(16)23-20/h3-8,13-14H,9-12H2,1-2H3,(H,22,23)(H,24,28)
    MOLECULAR FORMULA
    C21H24N4O2S
    CROSS REFERENCES
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    canSAR1987547

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.16
    AlogP 4.38
    HBond donors 1
    HBond acceptors 6
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1987547.