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canSAR550560
FEATURES
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NAMES
    SMILES
    Cc1cccc(SCC2NC(c3c[nH]c4c(N)ncnc34)C(O)C2O)c1
    InChI
    InChI=1S/C18H21N5O2S/c1-9-3-2-4-10(5-9)26-7-12-16(24)17(25)14(23-12)11-6-20-15-13(11)21-8-22-18(15)19/h2-6,8,12,14,16-17,20,23-25H,7H2,1H3,(H2,19,21,22)
    MOLECULAR FORMULA
    C18H21N5O2S
    CROSS REFERENCES
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    canSAR550560

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 371.14
    AlogP 1.38
    HBond donors 6
    HBond acceptors 7
    Atoms 47
    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 canSAR550560.