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canSAR503761
FEATURES
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NAMES
    SMILES
    NC(=O)C1(NC(=O)[C@@H](CCCC(=O)O)NC(=O)[C@@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)Cc2ccc(Nc3nc4ccccc4[nH]3)cc2)CCCCC1
    InChI
    InChI=1S/C42H51N9O7/c43-40(58)42(22-5-1-6-23-42)51-39(57)34(14-8-15-37(54)55)48-38(56)33(13-4-7-25-45-35(52)21-18-29-10-9-24-44-27-29)47-36(53)26-28-16-19-30(20-17-28)46-41-49-31-11-2-3-12-32(31)50-41/h2-3,9-12,16-21,24,27,33-34H,1,4-8,13-15,22-23,25-26H2,(H2,43,58)(H,45,52)(H,47,53)(H,48,56)(H,51,57)(H,54,55)(H2,46,49,50)/b21-18+/t33-,34-/m1/s1
    MOLECULAR FORMULA
    C42H51N9O7
    CROSS REFERENCES
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    canSAR503761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 793.39
    AlogP 3.77
    HBond donors 9
    HBond acceptors 16
    Atoms 109
    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 canSAR503761.