canSAR1632225
FEATURES
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NAMES
    SMILES
    COc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1
    InChI
    InChI=1S/C23H28N6O/c1-30-20-10-6-5-9-19(20)25-23-27-21(26-22(24)28-23)16-29-13-11-18(12-14-29)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H3,24,25,26,27,28)
    MOLECULAR FORMULA
    C23H28N6O
    CROSS REFERENCES
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    canSAR1632225
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight404.23
    AlogP3.66
    HBond donors3
    HBond acceptors7
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632225.