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canSAR1984796
FEATURES
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NAMES
    SMILES
    CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1
    InChI
    InChI=1S/C27H35NO4/c1-16(2)17-6-8-20-18(12-17)7-9-23-26(3,10-5-11-27(20,23)4)15-28-25(32)19-13-21(29)24(31)22(30)14-19/h6,8,12-14,16,23,29-31H,5,7,9-11,15H2,1-4H3,(H,28,32)/t23-,26-,27+/m0/s1
    MOLECULAR FORMULA
    C27H35NO4
    CROSS REFERENCES
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    canSAR1984796

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.26
    AlogP 5.37
    HBond donors 4
    HBond acceptors 5
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1984796.