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canSAR1828990
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NAMES
    SMILES
    Cn1c2c(c3cc(S(=O)(=O)c4cccc(NC5CCCC5)c4)ccc31)C1CCC(C2)N1
    InChI
    InChI=1S/C25H29N3O2S/c1-28-23-12-10-20(15-21(23)25-22-11-9-18(27-22)14-24(25)28)31(29,30)19-8-4-7-17(13-19)26-16-5-2-3-6-16/h4,7-8,10,12-13,15-16,18,22,26-27H,2-3,5-6,9,11,14H2,1H3
    MOLECULAR FORMULA
    C25H29N3O2S
    CROSS REFERENCES
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    canSAR1828990

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.20
    AlogP 4.71
    HBond donors 2
    HBond acceptors 5
    Atoms 60
    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 canSAR1828990.