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canSAR176682
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NAMES
    SMILES
    COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1
    InChI
    InChI=1S/C35H35N3O5/c1-41-31-19-17-27(22-32(31)42-2)25-13-15-26(16-14-25)34(39)38-30(18-12-23-8-5-4-6-9-23)29(35(40)43-3)21-24-10-7-11-28(20-24)33(36)37/h4-20,22,29-30H,21H2,1-3H3,(H3,36,37)(H,38,39)/b18-12+/t29-,30-/m1/s1
    MOLECULAR FORMULA
    C35H35N3O5
    CROSS REFERENCES
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    canSAR176682

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 577.26
    AlogP 5.50
    HBond donors 4
    HBond acceptors 8
    Atoms 78
    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 canSAR176682.