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canSAR1092290
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NAMES
    SMILES
    CNC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NCc1cccc(C)c1
    InChI
    InChI=1S/C33H40N4O4/c1-25-11-9-16-28(21-25)23-36-30(17-10-20-35-33(40)41-24-27-14-7-4-8-15-27)32(39)37-29(18-19-31(38)34-2)22-26-12-5-3-6-13-26/h3-9,11-16,18-19,21,29-30,36H,10,17,20,22-24H2,1-2H3,(H,34,38)(H,35,40)(H,37,39)/b19-18+/t29-,30-/m1/s1
    MOLECULAR FORMULA
    C33H40N4O4
    CROSS REFERENCES
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    canSAR1092290

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.30
    AlogP 4.19
    HBond donors 4
    HBond acceptors 8
    Atoms 81
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092290.