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canSAR834491
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](CC(C)C)NP(=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)Oc1ccccc1
    InChI
    InChI=1S/C23H32N7O9P/c1-4-36-21(33)16(12-14(2)3)27-40(35,39-15-8-6-5-7-9-15)37-13-23(28-29-25)19(32)18(31)20(38-23)30-11-10-17(24)26-22(30)34/h5-11,14,16,18-20,31-32H,4,12-13H2,1-3H3,(H,27,35)(H2,24,26,34)/t16-,18+,19-,20+,23+,40?/m0/s1
    MOLECULAR FORMULA
    C23H32N7O9P
    CROSS REFERENCES
    834491 logo

    canSAR834491

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.20
    AlogP 1.85
    HBond donors 5
    HBond acceptors 16
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR834491.