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canSAR504755
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2cc(OC)c(OC)c(OC)c2)N1
    InChI
    InChI=1S/C31H54N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-30(34)26-24-38-31(33-26)25-22-27(35-2)29(37-4)28(23-25)36-3/h22-23,26,31,33H,5-21,24H2,1-4H3,(H,32,34)/t26-,31?/m0/s1
    MOLECULAR FORMULA
    C31H54N2O4S
    CROSS REFERENCES
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    canSAR504755

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.38
    AlogP 7.79
    HBond donors 2
    HBond acceptors 6
    Atoms 92
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504755.