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canSAR755732
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NAMES
    SMILES
    O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2F)n1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
    InChI
    InChI=1S/C22H18ClF4N5O3/c23-15-10-13(11-28-19(15)31-7-4-12(5-8-31)21(34)35)20(33)29-17-6-9-32(30-17)16-3-1-2-14(18(16)24)22(25,26)27/h1-3,6,9-12H,4-5,7-8H2,(H,34,35)(H,29,30,33)
    MOLECULAR FORMULA
    C22H18ClF4N5O3
    CROSS REFERENCES
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    canSAR755732

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.10
    AlogP 4.63
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    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 canSAR755732.