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canSAR1128194
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NAMES
    SMILES
    O=C(CCN1CCNCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
    InChI
    InChI=1S/C32H32N4O4S/c37-26-20-29(36-16-18-39-19-17-36)40-31-21(5-3-6-23(26)31)22-8-9-25(30-24-4-1-2-7-27(24)41-32(22)30)34-28(38)10-13-35-14-11-33-12-15-35/h1-9,20,33H,10-19H2,(H,34,38)
    MOLECULAR FORMULA
    C32H32N4O4S
    CROSS REFERENCES
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    canSAR1128194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.21
    AlogP 4.90
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    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 canSAR1128194.