656275 logo
canSAR656275
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn(C[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OC(C)=O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
    InChI
    InChI=1S/C42H59N9O13/c1-24(2)34(38(56)60-8)46-36(54)29(44-37(55)30(18-27-14-10-9-11-15-27)45-41(59)64-42(5,6)7)16-12-13-17-43-40(58)61-23-28-21-50(49-48-28)22-32-31(62-26(4)52)19-33(63-32)51-20-25(3)35(53)47-39(51)57/h9-11,14-15,20-21,24,29-34H,12-13,16-19,22-23H2,1-8H3,(H,43,58)(H,44,55)(H,45,59)(H,46,54)(H,47,53,57)/t29-,30-,31-,32+,33+,34-/m0/s1
    MOLECULAR FORMULA
    C42H59N9O13
    CROSS REFERENCES
    656275 logo

    canSAR656275

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 897.42
    AlogP 1.69
    HBond donors 5
    HBond acceptors 22
    Atoms 123
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR656275.