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canSAR1019177
FEATURES
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NAMES
    SMILES
    Oc1ccccc1SCC(O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
    InChI
    InChI=1S/C27H31NO3S/c29-24(20-32-26-14-8-7-13-25(26)30)19-28-17-15-23(16-18-28)27(31,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23-24,29-31H,15-20H2
    MOLECULAR FORMULA
    C27H31NO3S
    CROSS REFERENCES
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    canSAR1019177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.20
    AlogP 4.49
    HBond donors 3
    HBond acceptors 4
    Atoms 63
    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 canSAR1019177.