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canSAR1146014
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NAMES
    SMILES
    O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2ccccc2c1
    InChI
    InChI=1S/C27H25N5OS/c33-26(21-10-9-19-5-1-2-6-20(19)15-21)29-24-8-4-3-7-23(24)25-17-32-22(18-34-27(32)30-25)16-31-13-11-28-12-14-31/h1-10,15,17-18,28H,11-14,16H2,(H,29,33)
    MOLECULAR FORMULA
    C27H25N5OS
    CROSS REFERENCES
    1146014 logo

    canSAR1146014

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.18
    AlogP 4.87
    HBond donors 2
    HBond acceptors 6
    Atoms 59
    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 canSAR1146014.