canSAR713448
FEATURES
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NAMES
    SMILES
    CC(C)(CNc1nc(NCCO)nc(Nc2cccc(N)c2)n1)CNc1nc(NCCO)nc(Nc2cccc(N)c2)n1
    InChI
    InChI=1S/C27H38N14O2/c1-27(2,15-32-23-36-21(30-9-11-42)38-25(40-23)34-19-7-3-5-17(28)13-19)16-33-24-37-22(31-10-12-43)39-26(41-24)35-20-8-4-6-18(29)14-20/h3-8,13-14,42-43H,9-12,15-16,28-29H2,1-2H3,(H3,30,32,34,36,38,40)(H3,31,33,35,37,39,41)
    MOLECULAR FORMULA
    C27H38N14O2
    CROSS REFERENCES
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    canSAR713448
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight590.33
    AlogP2.07
    HBond donors12
    HBond acceptors16
    Atoms81
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR713448.