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canSAR788368
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NAMES
    SMILES
    CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@@H](C)C3)cn2)n1
    InChI
    InChI=1S/C21H27ClN8/c1-13(2)19-18(20(22)29-28-19)16-6-7-24-21(26-16)27-17-5-4-15(10-25-17)12-30-9-8-23-14(3)11-30/h4-7,10,13-14,23H,8-9,11-12H2,1-3H3,(H,28,29)(H,24,25,26,27)/t14-/m0/s1
    MOLECULAR FORMULA
    C21H27ClN8
    CROSS REFERENCES
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    canSAR788368

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.20
    AlogP 3.58
    HBond donors 3
    HBond acceptors 8
    Atoms 57
    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 canSAR788368.