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canSAR1981048
FEATURES
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NAMES
    SMILES
    CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(CCCCNC(=O)OC)c2)sc1C(=O)O
    InChI
    InChI=1S/C27H30ClN3O5S/c1-3-31(17-18-9-5-4-6-10-18)26(34)30-22-16-23(37-24(22)25(32)33)20-12-13-21(28)19(15-20)11-7-8-14-29-27(35)36-2/h4-6,9-10,12-13,15-16H,3,7-8,11,14,17H2,1-2H3,(H,29,35)(H,30,34)(H,32,33)
    MOLECULAR FORMULA
    C27H30ClN3O5S
    CROSS REFERENCES
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    canSAR1981048

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.16
    AlogP 6.50
    HBond donors 3
    HBond acceptors 8
    Atoms 67
    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 canSAR1981048.