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canSAR1125528
FEATURES
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NAMES
    SMILES
    O=C(CCNCCN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
    InChI
    InChI=1S/C34H36N4O5S/c39-28-22-31(38-16-20-42-21-17-38)43-33-23(5-3-6-25(28)33)24-8-9-27(32-26-4-1-2-7-29(26)44-34(24)32)36-30(40)10-11-35-12-13-37-14-18-41-19-15-37/h1-9,22,35H,10-21H2,(H,36,40)
    MOLECULAR FORMULA
    C34H36N4O5S
    CROSS REFERENCES
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    canSAR1125528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.24
    AlogP 4.91
    HBond donors 2
    HBond acceptors 9
    Atoms 80
    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 canSAR1125528.