canSAR1532989
FEATURES
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NAMES
    SMILES
    COc1cc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc(OC)c1
    InChI
    InChI=1S/C27H30N2O3S/c1-31-24-17-23(18-25(19-24)32-2)28-26(33)29-15-13-22(14-16-29)27(30,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,22,30H,13-16H2,1-2H3,(H,28,33)
    MOLECULAR FORMULA
    C27H30N2O3S
    CROSS REFERENCES
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    canSAR1532989
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight462.20
    AlogP5.05
    HBond donors2
    HBond acceptors5
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1532989.