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canSAR783581
FEATURES
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NAMES
    SMILES
    COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2C#N)C(=O)O)cc1
    InChI
    InChI=1S/C29H29N3O5/c1-36-25-10-5-11-26(37-2)27(25)20-14-12-19(13-15-20)17-22(29(34)35)31-28(33)24-9-6-16-32(24)23-8-4-3-7-21(23)18-30/h3-5,7-8,10-15,22,24H,6,9,16-17H2,1-2H3,(H,31,33)(H,34,35)/t22-,24-/m0/s1
    MOLECULAR FORMULA
    C29H29N3O5
    CROSS REFERENCES
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    canSAR783581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.21
    AlogP 4.02
    HBond donors 2
    HBond acceptors 8
    Atoms 66
    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 canSAR783581.