canSAR592004
FEATURES
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NAMES
    SMILES
    COc1cccc(C2(C)CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1
    InChI
    InChI=1S/C31H36ClN3O3/c1-31(25-6-5-7-28(22-25)38-2)16-20-35(21-17-31)19-4-3-18-33-29(36)23-10-14-27(15-11-23)34-30(37)24-8-12-26(32)13-9-24/h5-15,22H,3-4,16-21H2,1-2H3,(H,33,36)(H,34,37)
    MOLECULAR FORMULA
    C31H36ClN3O3
    CROSS REFERENCES
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    canSAR592004
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight533.24
    AlogP6.16
    HBond donors2
    HBond acceptors6
    Atoms74
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR592004.