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canSAR783874
FEATURES
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NAMES
    SMILES
    CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC2CC2C(=O)O)CC2CC2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21
    InChI
    InChI=1S/C32H37N7O8/c1-2-33-32(44)37-27-24-28(35-15-34-27)39(16-36-24)29-26-25(46-23(47-26)9-8-17-6-4-3-5-7-17)22(45-29)14-38(12-18-10-20(18)30(40)41)13-19-11-21(19)31(42)43/h3-9,15-16,18-23,25-26,29H,2,10-14H2,1H3,(H,40,41)(H,42,43)(H2,33,34,35,37,44)/b9-8+/t18?,19?,20?,21?,22-,23+,25-,26-,29-/m1/s1
    MOLECULAR FORMULA
    C32H37N7O8
    CROSS REFERENCES
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    canSAR783874

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 647.27
    AlogP 2.43
    HBond donors 4
    HBond acceptors 15
    Atoms 84
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR783874.