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canSAR829581
FEATURES
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NAMES
    SMILES
    COC[C@@]1([C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3
    InChI
    InChI=1S/C36H48N2O7/c1-24(2)16-31(37-34(40)42-22-26-12-8-5-9-13-26)33(39)38-32(15-14-25-10-6-4-7-11-25)35(23-41-3)43-36(45-44-35)29-18-27-17-28(20-29)21-30(36)19-27/h4-13,24,27-32H,14-23H2,1-3H3,(H,37,40)(H,38,39)/t27?,28?,29?,30?,31-,32-,35-,36?/m0/s1
    MOLECULAR FORMULA
    C36H48N2O7
    CROSS REFERENCES
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    canSAR829581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.35
    AlogP 5.92
    HBond donors 2
    HBond acceptors 9
    Atoms 93
    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 canSAR829581.