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canSAR228154
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NAMES
    SMILES
    N#CN/C(=N/Cc1ccc2c(c1)OCO2)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1
    InChI
    InChI=1S/C29H25BrClN5O2/c30-22-12-21-3-2-20-13-23(31)4-5-24(20)27(28(21)33-15-22)19-7-9-36(10-8-19)29(35-16-32)34-14-18-1-6-25-26(11-18)38-17-37-25/h1,4-6,11-13,15H,2-3,7-10,14,17H2,(H,34,35)
    MOLECULAR FORMULA
    C29H25BrClN5O2
    CROSS REFERENCES
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    canSAR228154

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.09
    AlogP 5.85
    HBond donors 1
    HBond acceptors 7
    Atoms 63
    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 canSAR228154.