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canSAR1724068
FEATURES
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NAMES
    SMILES
    CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OC[C@@H](O)[C@@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]1O)C2
    InChI
    InChI=1S/C25H39N3O6/c1-6-16-12-17-13-28(11-9-19(17)26-18(16)7-2)10-8-15(3)27-31-14-20(29)22-21(30)23-24(32-22)34-25(4,5)33-23/h12,20-24,29-30H,6-11,13-14H2,1-5H3/b27-15+/t20-,21+,22+,23-,24-/m1/s1
    MOLECULAR FORMULA
    C25H39N3O6
    CROSS REFERENCES
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    canSAR1724068

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.28
    AlogP 1.95
    HBond donors 2
    HBond acceptors 9
    Atoms 73
    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 canSAR1724068.