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canSAR1065737
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NAMES
    SMILES
    COc1ccc2[nH]c3c(c2c1)CCN1OCSC[C@@H](N)[C@@H]31
    InChI
    InChI=1S/C15H19N3O2S/c1-19-9-2-3-13-11(6-9)10-4-5-18-15(14(10)17-13)12(16)7-21-8-20-18/h2-3,6,12,15,17H,4-5,7-8,16H2,1H3/t12-,15+/m1/s1
    MOLECULAR FORMULA
    C15H19N3O2S
    CROSS REFERENCES
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    canSAR1065737

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 305.12
    AlogP 2.04
    HBond donors 3
    HBond acceptors 5
    Atoms 40
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1065737.