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canSAR1830389
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NAMES
    SMILES
    Cc1ccsc1C(=O)C1CCCN(Cc2cc(C(C)C)n[nH]2)C1
    InChI
    InChI=1S/C18H25N3OS/c1-12(2)16-9-15(19-20-16)11-21-7-4-5-14(10-21)17(22)18-13(3)6-8-23-18/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3,(H,19,20)
    MOLECULAR FORMULA
    C18H25N3OS
    CROSS REFERENCES
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    canSAR1830389

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.17
    AlogP 4.00
    HBond donors 1
    HBond acceptors 4
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830389.