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canSAR1595100
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NAMES
    SMILES
    CC(C)OC1[C@@H](OC(C)C)[C@@H](CO[PH](=O)O)O[C@H]1n1c[n+](Cc2ccccccccc2)c2c(O)nc(N)nc21
    InChI
    InChI=1S/C27H36N5O7P/c1-17(2)37-22-20(15-36-40(34)35)39-26(23(22)38-18(3)4)32-16-31(21-24(32)29-27(28)30-25(21)33)14-19-12-10-8-6-5-7-9-11-13-19/h5-13,16-18,20,22-23,26,40H,14-15H2,1-4H3,(H3-,28,29,30,33,34,35)/p+1/b6-5-,7-5-,8-6-,9-7-,10-8-,11-9-,12-10-,13-11-,19-12+,19-13+/t20-,22+,23?,26-/m1/s1
    MOLECULAR FORMULA
    C27H37N5O7P+
    CROSS REFERENCES
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    canSAR1595100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 574.24
    AlogP 3.06
    HBond donors 4
    HBond acceptors 12
    Atoms 77
    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 canSAR1595100.