canSAR1835568
FEATURES
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NAMES
    SMILES
    COc1cccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)c1
    InChI
    InChI=1S/C21H18N2O5S/c1-13-10-19(24)27-18-12-16(6-7-17(13)18)26-8-9-29-21-23-22-20(28-21)14-4-3-5-15(11-14)25-2/h3-7,10-12H,8-9H2,1-2H3
    MOLECULAR FORMULA
    C21H18N2O5S
    CROSS REFERENCES
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    canSAR1835568
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight410.09
    AlogP4.33
    HBond donors0
    HBond acceptors7
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1835568.