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canSAR743318
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NAMES
    SMILES
    Cc1cc(-c2cc(OP(=O)(O)O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
    InChI
    InChI=1S/C26H27ClN5O5P/c1-17-14-18(22-16-21(8-9-23(22)27)37-38(33,34)35)15-24-25(17)29-26(31-30-24)28-19-4-6-20(7-5-19)36-13-12-32-10-2-3-11-32/h4-9,14-16H,2-3,10-13H2,1H3,(H,28,29,31)(H2,33,34,35)
    MOLECULAR FORMULA
    C26H27ClN5O5P
    CROSS REFERENCES
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    canSAR743318

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.14
    AlogP 5.34
    HBond donors 3
    HBond acceptors 10
    Atoms 65
    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 canSAR743318.