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canSAR1093573
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NAMES
    SMILES
    Cn1c2nc3ccccc3c-2c(NCCCN2C(=O)CSC2c2ccc(Cl)cc2)c2ccccc21
    InChI
    InChI=1S/C28H25ClN4OS/c1-32-23-10-5-3-8-21(23)26(25-20-7-2-4-9-22(20)31-27(25)32)30-15-6-16-33-24(34)17-35-28(33)18-11-13-19(29)14-12-18/h2-5,7-14,28,30H,6,15-17H2,1H3
    MOLECULAR FORMULA
    C28H25ClN4OS
    CROSS REFERENCES
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    canSAR1093573

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.14
    AlogP 6.56
    HBond donors 1
    HBond acceptors 5
    Atoms 60
    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 canSAR1093573.