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canSAR1066023
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(N)nc32)[C@](C)(O)[C@@H]1O
    InChI
    InChI=1S/C22H36N7O10P/c1-7-36-18(31)11(3)27-40(34,28-12(4)19(32)37-8-2)38-9-13-15(30)22(5,33)20(39-13)29-10-24-14-16(29)25-21(23)26-17(14)35-6/h10-13,15,20,30,33H,7-9H2,1-6H3,(H2,23,25,26)(H2,27,28,34)/t11-,12-,13+,15+,20+,22+/m0/s1
    MOLECULAR FORMULA
    C22H36N7O10P
    CROSS REFERENCES
    1066023 logo

    canSAR1066023

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.23
    AlogP -0.37
    HBond donors 6
    HBond acceptors 17
    Atoms 76
    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 canSAR1066023.