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canSAR498570
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O
    InChI
    InChI=1S/C46H58N8O8/c1-29(2)24-36(41(56)48-3)50-43(58)37(26-32-27-49-34-19-11-10-18-33(32)34)51-44(59)39(20-12-13-23-47)54-40(55)22-21-35(53-46(61)62-28-31-16-8-5-9-17-31)42(57)52-38(45(54)60)25-30-14-6-4-7-15-30/h4-11,14-19,27,29,35-39,49H,12-13,20-26,28,47H2,1-3H3,(H,48,56)(H,50,58)(H,51,59)(H,52,57)(H,53,61)/t35-,36+,37+,38-,39+/m1/s1
    MOLECULAR FORMULA
    C46H58N8O8
    CROSS REFERENCES
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    canSAR498570

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 850.44
    AlogP 3.14
    HBond donors 8
    HBond acceptors 16
    Atoms 120
    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 canSAR498570.