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canSAR1864589
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NAMES
    SMILES
    CCOC(=O)NC(C)c1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
    InChI
    InChI=1S/C31H35N7O4S/c1-3-42-31(41)32-21(2)24-13-9-12-23(18-24)20-28(40)34-30-38-37-29(43-30)15-8-7-14-25-16-17-26(36-35-25)33-27(39)19-22-10-5-4-6-11-22/h4-6,9-13,16-18,21H,3,7-8,14-15,19-20H2,1-2H3,(H,32,41)(H,33,36,39)(H,34,38,40)
    MOLECULAR FORMULA
    C31H35N7O4S
    CROSS REFERENCES
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    canSAR1864589

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 601.25
    AlogP 5.06
    HBond donors 3
    HBond acceptors 11
    Atoms 78
    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 canSAR1864589.