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canSAR778319
FEATURES
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NAMES
    SMILES
    CN(C)Cc1cn(C[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@@H]2O[C@H]2O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]2N)nn1
    InChI
    InChI=1S/C28H54N10O12/c1-37(2)6-9-7-38(36-35-9)8-14-24(49-27-16(34)21(43)19(41)13(5-30)46-27)22(44)28(47-14)50-25-17(39)10(31)3-11(32)23(25)48-26-15(33)20(42)18(40)12(4-29)45-26/h7,10-28,39-44H,3-6,8,29-34H2,1-2H3/t10-,11+,12-,13+,14-,15-,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+/m1/s1
    MOLECULAR FORMULA
    C28H54N10O12
    CROSS REFERENCES
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    canSAR778319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 722.39
    AlogP -8.53
    HBond donors 18
    HBond acceptors 22
    Atoms 104
    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 canSAR778319.