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canSAR1131492
FEATURES
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NAMES
    SMILES
    Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
    InChI
    InChI=1S/C44H49N5O7/c1-29-14-13-15-30(2)40(29)43(53)55-28-39(50)36(22-11-12-23-45)47-41(51)37(24-31-16-5-3-6-17-31)48-42(52)38(25-33-26-46-35-21-10-9-20-34(33)35)49-44(54)56-27-32-18-7-4-8-19-32/h3-10,13-21,26,36-38,46H,11-12,22-25,27-28,45H2,1-2H3,(H,47,51)(H,48,52)(H,49,54)/t36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C44H49N5O7
    CROSS REFERENCES
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    canSAR1131492

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 759.36
    AlogP 5.39
    HBond donors 6
    HBond acceptors 12
    Atoms 105
    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 canSAR1131492.