1127916 logo
canSAR1127916
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
    InChI
    InChI=1S/C42H46N6O8/c43-32(21-28-15-17-31(49)18-16-28)41(54)48-25-30-14-8-7-13-29(30)24-36(48)40(53)47-35(23-27-11-5-2-6-12-27)39(52)46-34(22-26-9-3-1-4-10-26)38(51)45-33(42(55)56)19-20-37(44)50/h1-18,32-36,49H,19-25,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,47,53)(H,55,56)/t32-,33+,34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C42H46N6O8
    CROSS REFERENCES
    1127916 logo

    canSAR1127916

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 762.34
    AlogP 1.51
    HBond donors 9
    HBond acceptors 14
    Atoms 102
    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 canSAR1127916.