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canSAR780608
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NAMES
    SMILES
    C[C@@H]1CCC2[C@@H](C)[C@@H](OCc3ccc(CN4CCCCC4)cc3)OC3O[C@@]4(C)CC[C@@H]1[C@]32OO4
    InChI
    InChI=1S/C28H41NO5/c1-19-7-12-24-20(2)25(31-26-28(24)23(19)13-14-27(3,32-26)33-34-28)30-18-22-10-8-21(9-11-22)17-29-15-5-4-6-16-29/h8-11,19-20,23-26H,4-7,12-18H2,1-3H3/t19-,20-,23+,24?,25+,26?,27-,28-/m1/s1
    MOLECULAR FORMULA
    C28H41NO5
    CROSS REFERENCES
    780608 logo

    canSAR780608

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.30
    AlogP 5.40
    HBond donors 0
    HBond acceptors 6
    Atoms 75
    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 canSAR780608.