canSAR1586047
FEATURES
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NAMES
    SMILES
    COc1cc(OC)cc(Oc2c(Cl)cnn(-c3ccc(C(C)C)cc3)c2=O)c1
    InChI
    InChI=1S/C21H21ClN2O4/c1-13(2)14-5-7-15(8-6-14)24-21(25)20(19(22)12-23-24)28-18-10-16(26-3)9-17(11-18)27-4/h5-13H,1-4H3
    MOLECULAR FORMULA
    C21H21ClN2O4
    CROSS REFERENCES
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    canSAR1586047
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight400.12
    AlogP4.82
    HBond donors0
    HBond acceptors6
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1586047.