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canSAR1690421
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NAMES
    SMILES
    CC#CC(=O)N1CC[C@]2(C1)C[C@@H](n1nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc31)C2
    InChI
    InChI=1S/C27H25N7O2/c1-2-6-22(35)33-12-11-27(16-33)13-18(14-27)34-26-23(25(28)30-17-31-26)24(32-34)21-10-9-20(15-29-21)36-19-7-4-3-5-8-19/h3-5,7-10,15,17-18H,11-14,16H2,1H3,(H2,28,30,31)/t18-,27+
    MOLECULAR FORMULA
    C27H25N7O2
    CROSS REFERENCES
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    canSAR1690421

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.21
    AlogP 3.84
    HBond donors 2
    HBond acceptors 9
    Atoms 61
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690421.