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canSAR66454
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NAMES
    SMILES
    O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1
    InChI
    InChI=1S/C26H30Cl4N4OS/c27-19-6-8-24(23(30)17-19)33-26(36)32-20-10-14-34(15-11-20)13-3-1-2-12-31-25(35)9-5-18-4-7-21(28)22(29)16-18/h4-9,16-17,20H,1-3,10-15H2,(H,31,35)(H2,32,33,36)
    MOLECULAR FORMULA
    C26H30Cl4N4OS
    CROSS REFERENCES
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    canSAR66454

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.09
    AlogP 7.05
    HBond donors 3
    HBond acceptors 5
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR66454.