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canSAR828702
FEATURES
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NAMES
    SMILES
    CC(C)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2
    InChI
    InChI=1S/C27H33ClN2O3/c1-16(2)20-13-17-9-10-23-26(3,11-6-12-27(23,4)24(31)32)21(17)15-22(20)30-25(33)29-19-8-5-7-18(28)14-19/h5,7-8,13-16,23H,6,9-12H2,1-4H3,(H,31,32)(H2,29,30,33)/t23-,26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H33ClN2O3
    CROSS REFERENCES
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    canSAR828702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.22
    AlogP 7.20
    HBond donors 3
    HBond acceptors 5
    Atoms 66
    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 canSAR828702.