canSAR1587957
FEATURES
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NAMES
    SMILES
    CCCn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CC)n5)nc3-4)c2)cn1
    InChI
    InChI=1S/C28H31N9/c1-4-12-37-18-22(17-30-37)20-8-6-7-19(14-20)15-24-26-23(33-35(24)3)10-9-21-16-29-28(32-27(21)26)31-25-11-13-36(5-2)34-25/h6-8,11,13-14,16-18H,4-5,9-10,12,15H2,1-3H3,(H,29,31,32,34)
    MOLECULAR FORMULA
    C28H31N9
    CROSS REFERENCES
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    canSAR1587957
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight493.27
    AlogP4.80
    HBond donors1
    HBond acceptors9
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587957.