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canSAR114980
FEATURES
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NAMES
    SMILES
    CC(C)n1cnc2c(Nc3ccccc3)nc(N3CCCCC3CCO)nc21
    InChI
    InChI=1S/C21H28N6O/c1-15(2)27-14-22-18-19(23-16-8-4-3-5-9-16)24-21(25-20(18)27)26-12-7-6-10-17(26)11-13-28/h3-5,8-9,14-15,17,28H,6-7,10-13H2,1-2H3,(H,23,24,25)
    MOLECULAR FORMULA
    C21H28N6O
    CROSS REFERENCES
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    canSAR114980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.23
    AlogP 3.89
    HBond donors 2
    HBond acceptors 7
    Atoms 56
    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 canSAR114980.