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canSAR1123300
FEATURES
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NAMES
    SMILES
    Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)CNC(=O)c5cccnc5)CC4)c(F)c3)C(=O)O2)nn1
    InChI
    InChI=1S/C25H27FN8O4/c1-17-14-33(30-29-17)15-20-16-34(25(37)38-20)19-4-5-22(21(26)11-19)31-7-9-32(10-8-31)23(35)13-28-24(36)18-3-2-6-27-12-18/h2-6,11-12,14,20H,7-10,13,15-16H2,1H3,(H,28,36)/t20-/m0/s1
    MOLECULAR FORMULA
    C25H27FN8O4
    CROSS REFERENCES
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    canSAR1123300

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.21
    AlogP 1.22
    HBond donors 1
    HBond acceptors 12
    Atoms 65
    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 canSAR1123300.