1269528 logo
canSAR1269528
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCOC[C@H]1O[C@@H](OCCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(C)C
    InChI
    InChI=1S/C57H83N5O14/c1-36(2)31-43(54(67)69-11)60-53(66)47(38(5)6)61-45(63)27-29-70-35-44-48(72-32-40-21-15-12-16-22-40)49(73-33-41-23-17-13-18-24-41)50(74-34-42-25-19-14-20-26-42)55(75-44)71-30-28-58-52(65)46(37(3)4)62-51(64)39(7)59-56(68)76-57(8,9)10/h12-26,36-39,43-44,46-50,55H,27-35H2,1-11H3,(H,58,65)(H,59,68)(H,60,66)(H,61,63)(H,62,64)/t39-,43-,44+,46-,47-,48+,49-,50+,55+/m0/s1
    MOLECULAR FORMULA
    C57H83N5O14
    CROSS REFERENCES
    1269528 logo

    canSAR1269528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1061.59
    AlogP 5.91
    HBond donors 5
    HBond acceptors 19
    Atoms 159
    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 canSAR1269528.