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canSAR99298
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NAMES
    SMILES
    COC(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@H]1C=C[C@@H](n2cnc3c(N)ncnc32)C1)Oc1ccccc1
    InChI
    InChI=1S/C27H29N6O5P/c1-36-27(34)23(15-19-8-4-2-5-9-19)32-39(35,38-22-10-6-3-7-11-22)37-16-20-12-13-21(14-20)33-18-31-24-25(28)29-17-30-26(24)33/h2-13,17-18,20-21,23H,14-16H2,1H3,(H,32,35)(H2,28,29,30)/t20-,21+,23-,39?/m0/s1
    MOLECULAR FORMULA
    C27H29N6O5P
    CROSS REFERENCES
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    canSAR99298

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.19
    AlogP 4.10
    HBond donors 3
    HBond acceptors 11
    Atoms 68
    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 canSAR99298.