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canSAR1265981
FEATURES
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NAMES
    SMILES
    N[C@H](COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F)COP(=O)(O)O
    InChI
    InChI=1S/C21H28ClFN5O7P/c22-16-10-18(33-11-14(24)12-34-36(30,31)32)17(23)9-15(16)19-25-21(26-35-19)28-7-5-27(6-8-28)20(29)13-3-1-2-4-13/h9-10,13-14H,1-8,11-12,24H2,(H2,30,31,32)/t14-/m1/s1
    MOLECULAR FORMULA
    C21H28ClFN5O7P
    CROSS REFERENCES
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    canSAR1265981

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.14
    AlogP 2.18
    HBond donors 4
    HBond acceptors 12
    Atoms 64
    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 canSAR1265981.