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canSAR1830116
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NAMES
    SMILES
    CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C)NCCCN1CCOCC1
    InChI
    InChI=1S/C23H31N3O4S/c1-3-30-23(28)20-19(18-8-5-4-6-9-18)16-31-22(20)25-21(27)17(2)24-10-7-11-26-12-14-29-15-13-26/h4-6,8-9,16-17,24H,3,7,10-15H2,1-2H3,(H,25,27)
    MOLECULAR FORMULA
    C23H31N3O4S
    CROSS REFERENCES
    1830116 logo

    canSAR1830116

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.20
    AlogP 3.23
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    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 canSAR1830116.