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canSAR1960462
FEATURES
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NAMES
    SMILES
    CN(C)C(=O)c1c(CNC(=O)c2cnc(N3CCC(CO)CC3)s2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
    InChI
    InChI=1S/C29H30ClN5O4S/c1-33(2)28(39)25-22(15-31-27(38)24-16-32-29(40-24)34-12-10-18(17-36)11-13-34)26(37)21-9-8-19(30)14-23(21)35(25)20-6-4-3-5-7-20/h3-9,14,16,18,36H,10-13,15,17H2,1-2H3,(H,31,38)
    MOLECULAR FORMULA
    C29H30ClN5O4S
    CROSS REFERENCES
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    canSAR1960462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.17
    AlogP 3.94
    HBond donors 2
    HBond acceptors 9
    Atoms 70
    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 canSAR1960462.