176863 logo
canSAR176863
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)NN(CC(=O)O)C(=O)/C=C/C(=O)N(C)Cc1ccccc1
    InChI
    InChI=1S/C36H44N6O13/c1-22(2)32(35(53)40-42(20-31(49)50)28(44)16-15-27(43)41(3)19-23-10-6-4-7-11-23)39-33(51)25(14-17-29(45)46)37-34(52)26(18-30(47)48)38-36(54)55-21-24-12-8-5-9-13-24/h4-13,15-16,22,25-26,32H,14,17-21H2,1-3H3,(H,37,52)(H,38,54)(H,39,51)(H,40,53)(H,45,46)(H,47,48)(H,49,50)/b16-15+/t25-,26-,32-/m0/s1
    MOLECULAR FORMULA
    C36H44N6O13
    CROSS REFERENCES
    176863 logo

    canSAR176863

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 768.30
    AlogP 0.41
    HBond donors 7
    HBond acceptors 19
    Atoms 99
    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 canSAR176863.