canSAR937116
FEATURES
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NAMES
    SMILES
    COc1cc(NC(C)CCCNC(=O)N[C@@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1.Cl
    InChI
    InChI=1S/C45H68N8O4.ClH/c1-29(49-36-27-33(56-9)25-31-18-20-38(44(3,4)5)52-40(31)36)15-13-23-47-42(54)35(17-11-12-22-46)51-43(55)48-24-14-16-30(2)50-37-28-34(57-10)26-32-19-21-39(45(6,7)8)53-41(32)37;/h18-21,25-30,35,49-50H,11-17,22-24,46H2,1-10H3,(H,47,54)(H2,48,51,55);1H/t29?,30?,35-;/m0./s1
    MOLECULAR FORMULA
    C45H69ClN8O4
    CROSS REFERENCES
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    canSAR937116
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight820.51
    AlogP8.59
    HBond donors7
    HBond acceptors12
    Atoms127
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR937116.