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canSAR1116187
FEATURES
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NAMES
    SMILES
    CN(C)CCN(C)CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
    InChI
    InChI=1S/C33H36N4O4S/c1-35(2)15-16-36(3)14-13-29(39)34-26-12-11-23(33-31(26)25-7-4-5-10-28(25)42-33)22-8-6-9-24-27(38)21-30(41-32(22)24)37-17-19-40-20-18-37/h4-12,21H,13-20H2,1-3H3,(H,34,39)
    MOLECULAR FORMULA
    C33H36N4O4S
    CROSS REFERENCES
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    canSAR1116187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.25
    AlogP 5.49
    HBond donors 1
    HBond acceptors 8
    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 canSAR1116187.