126521 logo
canSAR126521
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C)C(C)C
    InChI
    InChI=1S/C36H54F2N6O11/c1-18(2)25(31(50)43-26(19(3)4)32(51)54-10)44-33(52)36(37,38)27(46)23(16-22-14-12-11-13-15-22)41-29(48)21(6)39-28(47)20(5)40-30(49)24(17-45)42-34(53)55-35(7,8)9/h11-15,18-21,23-26,45H,16-17H2,1-10H3,(H,39,47)(H,40,49)(H,41,48)(H,42,53)(H,43,50)(H,44,52)/t20-,21-,23-,24-,25-,26-/m0/s1
    MOLECULAR FORMULA
    C36H54F2N6O11
    CROSS REFERENCES
    126521 logo

    canSAR126521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 784.38
    AlogP 0.27
    HBond donors 7
    HBond acceptors 17
    Atoms 109
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR126521.