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canSAR1402795
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NAMES
    SMILES
    COC(=O)[C@@]12C[C@@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2
    InChI
    InChI=1S/C33H44N2O4/c1-31(2)10-9-27-33(20-31,30(38)39-3)18-26(29(37)35(27)19-22-7-5-4-6-8-22)14-28(36)34-21-32-15-23-11-24(16-32)13-25(12-23)17-32/h4-9,23-26H,10-21H2,1-3H3,(H,34,36)/t23?,24?,25?,26-,32?,33-/m1/s1
    MOLECULAR FORMULA
    C33H44N2O4
    CROSS REFERENCES
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    canSAR1402795

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.33
    AlogP 5.62
    HBond donors 1
    HBond acceptors 6
    Atoms 83
    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 canSAR1402795.