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canSAR733127
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NAMES
    SMILES
    CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCCN5CCN(CC)CC5)cc34)ccc2s1
    InChI
    InChI=1S/C29H35N5O4S/c1-4-33-10-12-34(13-11-33)9-6-14-38-25-17-22-23(18-24(25)36-3)30-19-31-28(22)32-21-7-8-26-20(15-21)16-27(39-26)29(35)37-5-2/h7-8,15-19H,4-6,9-14H2,1-3H3,(H,30,31,32)
    MOLECULAR FORMULA
    C29H35N5O4S
    CROSS REFERENCES
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    canSAR733127

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.24
    AlogP 5.18
    HBond donors 1
    HBond acceptors 9
    Atoms 74
    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 canSAR733127.