canSAR2079815
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C45H62N8O9/c1-5-28(4)39-44(61)50-38(27(2)3)43(60)47-26-36(55)48-33(25-30-17-19-31(54)20-18-30)41(58)49-32(24-29-12-7-6-8-13-29)40(57)46-21-9-16-37(56)52-22-11-15-35(52)45(62)53-23-10-14-34(53)42(59)51-39/h6-8,12-13,17-20,27-28,32-35,38-39,54H,5,9-11,14-16,21-26H2,1-4H3,(H,46,57)(H,47,60)(H,48,55)(H,49,58)(H,50,61)(H,51,59)/t28-,32-,33-,34-,35-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C45H62N8O9
    CROSS REFERENCES
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    canSAR2079815
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight858.46
    AlogP0.83
    HBond donors7
    HBond acceptors17
    Atoms124
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079815.