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canSAR1862829
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NAMES
    SMILES
    O=C(NC1CCCC1)C(c1ccccc1)n1c(CSCCOc2ccccc2)nc2ccccc21
    InChI
    InChI=1S/C29H31N3O2S/c33-29(30-23-13-7-8-14-23)28(22-11-3-1-4-12-22)32-26-18-10-9-17-25(26)31-27(32)21-35-20-19-34-24-15-5-2-6-16-24/h1-6,9-12,15-18,23,28H,7-8,13-14,19-21H2,(H,30,33)
    MOLECULAR FORMULA
    C29H31N3O2S
    CROSS REFERENCES
    1862829 logo

    canSAR1862829

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.21
    AlogP 6.00
    HBond donors 1
    HBond acceptors 5
    Atoms 66
    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 canSAR1862829.