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canSAR2087500
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NAMES
    SMILES
    CC(C)CC(Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1
    InChI
    InChI=1S/C20H21N5O2S/c1-11(2)8-17(22-12-4-3-5-13(26)9-12)19(27)24-20-23-16-7-6-15-14(10-21-25-15)18(16)28-20/h3-7,9-11,17,22,26H,8H2,1-2H3,(H,21,25)(H,23,24,27)
    MOLECULAR FORMULA
    C20H21N5O2S
    CROSS REFERENCES
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    canSAR2087500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.14
    AlogP 4.34
    HBond donors 4
    HBond acceptors 7
    Atoms 49
    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 canSAR2087500.