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canSAR1594863
FEATURES
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NAMES
    SMILES
    C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(OC)cc1
    InChI
    InChI=1S/C22H21N3O3S2/c1-5-12-25-20(26)19(30-22(25)23-14-6-8-15(27-3)9-7-14)21-24(2)17-13-16(28-4)10-11-18(17)29-21/h5-11,13H,1,12H2,2-4H3/b21-19-,23-22-
    MOLECULAR FORMULA
    C22H21N3O3S2
    CROSS REFERENCES
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    canSAR1594863

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.10
    AlogP 4.86
    HBond donors 0
    HBond acceptors 6
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1594863.