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canSAR499778
FEATURES
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NAMES
    SMILES
    COc1ccc(C2(C(=S)NCCCn3ccnc3)CC2)cc1OC
    InChI
    InChI=1S/C18H23N3O2S/c1-22-15-5-4-14(12-16(15)23-2)18(6-7-18)17(24)20-8-3-10-21-11-9-19-13-21/h4-5,9,11-13H,3,6-8,10H2,1-2H3,(H,20,24)
    MOLECULAR FORMULA
    C18H23N3O2S
    CROSS REFERENCES
    499778 logo

    canSAR499778

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 345.15
    AlogP 2.94
    HBond donors 1
    HBond acceptors 5
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR499778.