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canSAR2204050
FEATURES
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NAMES
    SMILES
    Nc1ncnc2c1c(-c1ccc(Oc3c(F)c(F)cc(F)c3F)cc1F)nn2[C@@H]1CCN(C(=O)/C=C/c2ccccc2)C1
    InChI
    InChI=1S/C30H21F5N6O2/c31-20-12-18(43-28-25(34)21(32)13-22(33)26(28)35)7-8-19(20)27-24-29(36)37-15-38-30(24)41(39-27)17-10-11-40(14-17)23(42)9-6-16-4-2-1-3-5-16/h1-9,12-13,15,17H,10-11,14H2,(H2,36,37,38)/b9-6+/t17-/m1/s1
    MOLECULAR FORMULA
    C30H21F5N6O2
    CROSS REFERENCES
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    canSAR2204050

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.16
    AlogP 6.05
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    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 canSAR2204050.