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canSAR830077
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NAMES
    SMILES
    CC(C)[C@@H](/C=C/C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc2ccccc2c1
    InChI
    InChI=1S/C42H48N4O4/c1-29(2)36(23-24-40(48)43-30(3)32-16-8-5-9-17-32)44-41(49)37(26-31-14-6-4-7-15-31)45-42(50)38-20-12-13-25-46(38)28-39(47)35-22-21-33-18-10-11-19-34(33)27-35/h4-11,14-19,21-24,27,29-30,36-38H,12-13,20,25-26,28H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)/b24-23+/t30-,36+,37-,38-/m0/s1
    MOLECULAR FORMULA
    C42H48N4O4
    CROSS REFERENCES
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    canSAR830077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.37
    AlogP 6.18
    HBond donors 3
    HBond acceptors 8
    Atoms 98
    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 canSAR830077.