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canSAR1271131
FEATURES
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NAMES
    SMILES
    COc1ccccc1C(=O)N(C)c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1
    InChI
    InChI=1S/C21H22N2O5S/c1-23(20(24)14-8-6-7-9-16(14)25-2)21-22-15(12-29-21)13-10-17(26-3)19(28-5)18(11-13)27-4/h6-12H,1-5H3
    MOLECULAR FORMULA
    C21H22N2O5S
    CROSS REFERENCES
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    canSAR1271131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.12
    AlogP 4.12
    HBond donors 0
    HBond acceptors 7
    Atoms 51
    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 canSAR1271131.