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canSAR1489718
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NAMES
    SMILES
    O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(Cn4cccn4)c3)s2)nn1
    InChI
    InChI=1S/C30H30N8O2S/c39-27(19-22-8-2-1-3-9-22)32-26-15-14-25(34-35-26)12-4-5-13-29-36-37-30(41-29)33-28(40)20-23-10-6-11-24(18-23)21-38-17-7-16-31-38/h1-3,6-11,14-18H,4-5,12-13,19-21H2,(H,32,35,39)(H,33,37,40)
    MOLECULAR FORMULA
    C30H30N8O2S
    CROSS REFERENCES
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    canSAR1489718

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.22
    AlogP 4.50
    HBond donors 2
    HBond acceptors 10
    Atoms 71
    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 canSAR1489718.