canSAR632931
FEATURES
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NAMES
    SMILES
    COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1
    InChI
    InChI=1S/C29H32N2O3/c1-29(2,3)16-9-14-19-21(15-16)24-25(26-23(19)20-7-5-6-8-22(20)30-26)28(33)31(27(24)32)17-10-12-18(34-4)13-11-17/h5-8,10-13,16,19,21,24-25,30H,9,14-15H2,1-4H3/t16?,19?,21-,24-,25-/m0/s1
    MOLECULAR FORMULA
    C29H32N2O3
    CROSS REFERENCES
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    canSAR632931
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight456.24
    AlogP6.01
    HBond donors1
    HBond acceptors5
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR632931.