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canSAR2203864
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NAMES
    SMILES
    N#CC(=CC1CC1)C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3cc(F)ccc3F)cc2)c2c(N)ncnc21
    InChI
    InChI=1S/C29H25F2N7O2/c30-20-7-10-23(31)24(13-20)40-22-8-5-18(6-9-22)26-25-27(33)34-16-35-28(25)38(36-26)15-21-2-1-11-37(21)29(39)19(14-32)12-17-3-4-17/h5-10,12-13,16-17,21H,1-4,11,15H2,(H2,33,34,35)
    MOLECULAR FORMULA
    C29H25F2N7O2
    CROSS REFERENCES
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    canSAR2203864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.20
    AlogP 5.00
    HBond donors 2
    HBond acceptors 9
    Atoms 65
    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 canSAR2203864.