canSAR206011
FEATURES
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NAMES
    SMILES
    CC(=N)N1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(=N)N)c4)c3)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C27H30N6O3/c1-18(28)32-12-10-24(11-13-32)36-26-9-8-23(16-25(26)33(34)35)31-17-19-4-2-5-20(14-19)21-6-3-7-22(15-21)27(29)30/h2-9,14-16,24,28,31H,10-13,17H2,1H3,(H3,29,30)
    MOLECULAR FORMULA
    C27H30N6O3
    CROSS REFERENCES
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    canSAR206011
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight486.24
    AlogP5.00
    HBond donors5
    HBond acceptors9
    Atoms66
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR206011.