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canSAR1830420
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NAMES
    SMILES
    Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CC(C)CC(C)C2)no1
    InChI
    InChI=1S/C22H27N5O3S/c1-14-8-15(2)11-26(10-14)21(29)12-27-18-7-5-4-6-17(18)23-22(27)31-13-20(28)24-19-9-16(3)30-25-19/h4-7,9,14-15H,8,10-13H2,1-3H3,(H,24,25,28)
    MOLECULAR FORMULA
    C22H27N5O3S
    CROSS REFERENCES
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    canSAR1830420

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.18
    AlogP 3.57
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830420.