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canSAR108764
FEATURES
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NAMES
    SMILES
    CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4nccc(C(F)(F)F)n4)CC3)c(F)c2)C(=O)O1
    InChI
    InChI=1S/C21H22F4N6O3/c1-13(32)27-11-15-12-31(20(33)34-15)14-2-3-17(16(22)10-14)29-6-8-30(9-7-29)19-26-5-4-18(28-19)21(23,24)25/h2-5,10,15H,6-9,11-12H2,1H3,(H,27,32)/t15-/m0/s1
    MOLECULAR FORMULA
    C21H22F4N6O3
    CROSS REFERENCES
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    canSAR108764

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.17
    AlogP 2.42
    HBond donors 1
    HBond acceptors 9
    Atoms 56
    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 canSAR108764.