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canSAR1125649
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NAMES
    SMILES
    CC(C)(C)n1nnnc1C(Nc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)c1ccc(Cl)c(Cl)c1
    InChI
    InChI=1S/C27H24Cl3N7/c1-27(2,3)37-26(34-35-36-37)25(16-4-11-21(29)22(30)14-16)33-19-8-6-18(7-9-19)32-23-12-13-31-24-15-17(28)5-10-20(23)24/h4-15,25,33H,1-3H3,(H,31,32)
    MOLECULAR FORMULA
    C27H24Cl3N7
    CROSS REFERENCES
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    canSAR1125649

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.12
    AlogP 7.88
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125649.