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canSAR2207655
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NAMES
    SMILES
    CCn1cc2c(n1)CCC[C@H]2n1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncnc21
    InChI
    InChI=1S/C27H24F3N9O/c1-2-38-13-18-19(36-38)4-3-5-20(18)39-25-22(24(31)33-14-34-25)23(37-39)15-6-8-16(9-7-15)26(40)35-21-12-17(10-11-32-21)27(28,29)30/h6-14,20H,2-5H2,1H3,(H2,31,33,34)(H,32,35,40)/t20-/m1/s1
    MOLECULAR FORMULA
    C27H24F3N9O
    CROSS REFERENCES
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    canSAR2207655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.21
    AlogP 4.88
    HBond donors 3
    HBond acceptors 10
    Atoms 64
    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 canSAR2207655.