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canSAR649947
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NAMES
    SMILES
    COC(=O)C(Cc1c(-c2ccc(OC)cc2)sc2ccccc12)NCc1ccccc1
    InChI
    InChI=1S/C26H25NO3S/c1-29-20-14-12-19(13-15-20)25-22(21-10-6-7-11-24(21)31-25)16-23(26(28)30-2)27-17-18-8-4-3-5-9-18/h3-15,23,27H,16-17H2,1-2H3
    MOLECULAR FORMULA
    C26H25NO3S
    CROSS REFERENCES
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    canSAR649947

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.16
    AlogP 5.45
    HBond donors 1
    HBond acceptors 4
    Atoms 56
    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 canSAR649947.