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canSAR220496
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NAMES
    SMILES
    CC(C)C(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccccc2)cc1Cl
    InChI
    InChI=1S/C32H33ClN2O4/c1-19(2)31(38)35-25-11-8-12-26(36)29(25)34-24-16-32(3,4)17-27(37)28(24)30(35)22-14-13-21(15-23(22)33)39-18-20-9-6-5-7-10-20/h5-15,19,30,34,36H,16-18H2,1-4H3
    MOLECULAR FORMULA
    C32H33ClN2O4
    CROSS REFERENCES
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    canSAR220496

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.21
    AlogP 7.42
    HBond donors 2
    HBond acceptors 6
    Atoms 72
    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 canSAR220496.