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canSAR220512
FEATURES
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NAMES
    SMILES
    NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCOCC2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1
    InChI
    InChI=1S/C41H48N6O9/c42-20-10-9-16-32(36(48)38-44-31-15-7-8-17-35(31)56-38)43-37(49)34-25-30(55-41(52)46-21-23-53-24-22-46)26-47(34)39(50)33(19-18-28-11-3-1-4-12-28)45-40(51)54-27-29-13-5-2-6-14-29/h1-8,11-15,17,30,32-34H,9-10,16,18-27,42H2,(H,43,49)(H,45,51)/t30-,32+,33-,34+/m1/s1
    MOLECULAR FORMULA
    C41H48N6O9
    CROSS REFERENCES
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    canSAR220512

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 768.35
    AlogP 3.99
    HBond donors 4
    HBond acceptors 15
    Atoms 104
    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 canSAR220512.