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canSAR199052
FEATURES
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NAMES
    SMILES
    CCCC(CC1(C(=O)Nc2nnc(-c3ccccc3)s2)CCCC1)C(=O)O
    InChI
    InChI=1S/C20H25N3O3S/c1-2-8-15(17(24)25)13-20(11-6-7-12-20)18(26)21-19-23-22-16(27-19)14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3,(H,24,25)(H,21,23,26)
    MOLECULAR FORMULA
    C20H25N3O3S
    CROSS REFERENCES
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    canSAR199052

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.16
    AlogP 4.59
    HBond donors 2
    HBond acceptors 6
    Atoms 52
    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 canSAR199052.