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canSAR1112413
FEATURES
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NAMES
    SMILES
    O=c1cc(N2CCOCC2)oc2c(-c3ccc(OCCNCCN4CCOCC4)c4c3sc3ccccc34)cccc12
    InChI
    InChI=1S/C33H35N3O5S/c37-27-22-30(36-15-20-39-21-16-36)41-32-23(5-3-6-25(27)32)24-8-9-28(31-26-4-1-2-7-29(26)42-33(24)31)40-17-11-34-10-12-35-13-18-38-19-14-35/h1-9,22,34H,10-21H2
    MOLECULAR FORMULA
    C33H35N3O5S
    CROSS REFERENCES
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    canSAR1112413

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.23
    AlogP 4.97
    HBond donors 1
    HBond acceptors 8
    Atoms 77
    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 canSAR1112413.