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canSAR1149522
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NAMES
    SMILES
    CSc1ccc(Oc2ccc(CNC(=O)c3c4c(nn3C)C(C)CC4)cc2)cc1
    InChI
    InChI=1S/C23H25N3O2S/c1-15-4-13-20-21(15)25-26(2)22(20)23(27)24-14-16-5-7-17(8-6-16)28-18-9-11-19(29-3)12-10-18/h5-12,15H,4,13-14H2,1-3H3,(H,24,27)
    MOLECULAR FORMULA
    C23H25N3O2S
    CROSS REFERENCES
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    canSAR1149522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.17
    AlogP 4.91
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    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 canSAR1149522.