canSAR2156437
FEATURES
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NAMES
    SMILES
    Nc1ncc(-c2csc(N3CCOCC3)n2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
    InChI
    InChI=1S/C22H27N9O2S/c23-14-3-6-30(7-4-14)17-2-1-5-25-20(17)29-21(32)18-19(24)26-12-15(27-18)16-13-34-22(28-16)31-8-10-33-11-9-31/h1-2,5,12-14H,3-4,6-11,23H2,(H2,24,26)(H,25,29,32)
    MOLECULAR FORMULA
    C22H27N9O2S
    CROSS REFERENCES
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    canSAR2156437
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight481.20
    AlogP1.59
    HBond donors5
    HBond acceptors11
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2156437.