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canSAR1516998
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NAMES
    SMILES
    Cc1cc2c(cc1C)CSC(c1c(O)ccc3ccccc13)SC2
    InChI
    InChI=1S/C21H20OS2/c1-13-9-16-11-23-21(24-12-17(16)10-14(13)2)20-18-6-4-3-5-15(18)7-8-19(20)22/h3-10,21-22H,11-12H2,1-2H3
    MOLECULAR FORMULA
    C21H20OS2
    CROSS REFERENCES
    1516998 logo

    canSAR1516998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.10
    AlogP 6.34
    HBond donors 1
    HBond acceptors 1
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1516998.