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canSAR2015686
FEATURES
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NAMES
    SMILES
    COc1ccc(C(O)C(=O)Nc2nnc(CCCCc3nnc(NC(=O)C(O)c4ccc(OC)cc4)s3)s2)cc1
    InChI
    InChI=1S/C26H28N6O6S2/c1-37-17-11-7-15(8-12-17)21(33)23(35)27-25-31-29-19(39-25)5-3-4-6-20-30-32-26(40-20)28-24(36)22(34)16-9-13-18(38-2)14-10-16/h7-14,21-22,33-34H,3-6H2,1-2H3,(H,27,31,35)(H,28,32,36)
    MOLECULAR FORMULA
    C26H28N6O6S2
    CROSS REFERENCES
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    canSAR2015686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.15
    AlogP 3.32
    HBond donors 4
    HBond acceptors 12
    Atoms 68
    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 canSAR2015686.