canSAR2096226
FEATURES
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NAMES
    SMILES
    COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1
    InChI
    InChI=1S/C44H55N9O5/c1-27(2)21-34(44(56)58-4)42(54)49-38(22-29-24-47-36-14-7-5-11-32(29)36)40-51-52-41(53(40)26-28-16-18-31(57-3)19-17-28)39(50-43(55)35(46)13-9-10-20-45)23-30-25-48-37-15-8-6-12-33(30)37/h5-8,11-12,14-19,24-25,27,34-35,38-39,47-48H,9-10,13,20-23,26,45-46H2,1-4H3,(H,49,54)(H,50,55)/t34?,35-,38+,39+/m0/s1
    MOLECULAR FORMULA
    C44H55N9O5
    CROSS REFERENCES
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    canSAR2096226
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight789.43
    AlogP5.39
    HBond donors8
    HBond acceptors14
    Atoms113
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096226.