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canSAR1404995
FEATURES
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NAMES
    SMILES
    CNCCN[S+](=O)([O-])c1cccc2cnccc12
    InChI
    InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13H,7-8H2,1H3,(H-,15,16,17)
    MOLECULAR FORMULA
    C12H15N3O2S
    CROSS REFERENCES
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    canSAR1404995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 265.09
    AlogP 0.95
    HBond donors 2
    HBond acceptors 5
    Atoms 33
    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 canSAR1404995.