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canSAR1094310
FEATURES
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NAMES
    SMILES
    CC(C)=CCC12OC[C@@H]3[C@@H](CN4CCCCC4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O
    InChI
    InChI=1S/C27H31NO5/c1-16(2)9-10-26-25(31)17-13-19-24(30)23-21(29)7-6-8-22(23)33-27(19,26)20(15-32-26)18(17)14-28-11-4-3-5-12-28/h6-9,13,17-18,20,29H,3-5,10-12,14-15H2,1-2H3/t17-,18+,20-,26?,27-/m1/s1
    MOLECULAR FORMULA
    C27H31NO5
    CROSS REFERENCES
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    canSAR1094310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.22
    AlogP 3.69
    HBond donors 1
    HBond acceptors 6
    Atoms 64
    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 canSAR1094310.