canSAR822661
FEATURES
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NAMES
    SMILES
    CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
    InChI
    InChI=1S/C20H25ClN8/c1-13(2)18-17(19(21)27-26-18)15-6-7-22-20(24-15)25-16-5-4-14(12-23-16)29-10-8-28(3)9-11-29/h4-7,12-13H,8-11H2,1-3H3,(H,26,27)(H,22,23,24,25)
    MOLECULAR FORMULA
    C20H25ClN8
    CROSS REFERENCES
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    canSAR822661
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight412.19
    AlogP3.53
    HBond donors2
    HBond acceptors8
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR822661.