canSAR735081
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(N)=O
    InChI
    InChI=1S/C53H65N13O10/c1-29(68)60-44(28-67)52(75)64-42(24-46(55)69)51(74)63-40(21-30-25-57-36-14-5-2-11-33(30)36)49(72)61-39(17-8-9-19-54)48(71)62-41(22-31-26-58-37-15-6-3-12-34(31)37)50(73)65-43(53(76)66-20-10-18-45(66)47(56)70)23-32-27-59-38-16-7-4-13-35(32)38/h2-7,11-16,25-27,39-45,57-59,67H,8-10,17-24,28,54H2,1H3,(H2,55,69)(H2,56,70)(H,60,68)(H,61,72)(H,62,71)(H,63,74)(H,64,75)(H,65,73)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C53H65N13O10
    CROSS REFERENCES
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    canSAR735081
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1043.50
    AlogP-0.44
    HBond donors16
    HBond acceptors23
    Atoms141
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR735081.