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canSAR935799
FEATURES
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NAMES
    SMILES
    CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(C(=O)O)=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
    InChI
    InChI=1S/C27H39NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h7-8,11,15-17,20-23H,9-10,12-14H2,1-6H3,(H,30,31)/t20-,21-,22-,23+,26-,27-/m0/s1
    MOLECULAR FORMULA
    C27H39NO3
    CROSS REFERENCES
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    canSAR935799

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.29
    AlogP 5.61
    HBond donors 1
    HBond acceptors 4
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR935799.