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canSAR186435
FEATURES
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NAMES
    SMILES
    N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)CCCCCCCCC(=O)N3CCN(C(=O)NCc4ccc(NC(=N)N)cc4)CC3)CC2)cc1
    InChI
    InChI=1S/C36H54N12O4/c37-33(38)43-29-13-9-27(10-14-29)25-41-35(51)47-21-17-45(18-22-47)31(49)7-5-3-1-2-4-6-8-32(50)46-19-23-48(24-20-46)36(52)42-26-28-11-15-30(16-12-28)44-34(39)40/h9-16H,1-8,17-26H2,(H,41,51)(H,42,52)(H4,37,38,43)(H4,39,40,44)
    MOLECULAR FORMULA
    C36H54N12O4
    CROSS REFERENCES
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    canSAR186435

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 718.44
    AlogP 2.83
    HBond donors 10
    HBond acceptors 16
    Atoms 106
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR186435.