canSAR418107
FEATURES
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NAMES
    SMILES
    CC#CCn1c(N2CCC[C@H](N)C2)nc2cnn(CC3=Nc4ccccc4Oc4ccccc43)c(=O)c21
    InChI
    InChI=1S/C28H27N7O2/c1-2-3-15-34-26-22(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-23-20-10-4-6-12-24(20)37-25-13-7-5-11-21(25)31-23/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m0/s1
    MOLECULAR FORMULA
    C28H27N7O2
    CROSS REFERENCES
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    canSAR418107
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight493.22
    AlogP3.47
    HBond donors2
    HBond acceptors9
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR418107.