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canSAR2049094
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NAMES
    SMILES
    COc1cccc(OC)c1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1
    InChI
    InChI=1S/C22H21N3O2S/c1-14(15-8-5-4-6-9-15)25-21-16-12-19(28-22(16)24-13-23-21)20-17(26-2)10-7-11-18(20)27-3/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1
    MOLECULAR FORMULA
    C22H21N3O2S
    CROSS REFERENCES
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    canSAR2049094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.14
    AlogP 5.55
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    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 canSAR2049094.