canSAR420016
FEATURES
Loading...
NAMES
    SMILES
    NCCC[C@H](N)CC(=O)NC1CNC(=O)[C@@H](C2CC(SCCN)NC(N)=N2)NC(=O)/C(=C/NC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC1=O
    InChI
    InChI=1S/C33H50Cl2N14O9S/c34-17-4-3-16(9-18(17)35)42-33(58)41-12-21-28(54)49-26(19-10-25(59-7-6-37)48-32(39)47-19)31(57)40-11-20(43-24(52)8-15(38)2-1-5-36)27(53)45-23(14-51)30(56)46-22(13-50)29(55)44-21/h3-4,9,12,15,19-20,22-23,25-26,50-51H,1-2,5-8,10-11,13-14,36-38H2,(H,40,57)(H,43,52)(H,44,55)(H,45,53)(H,46,56)(H,49,54)(H3,39,47,48)(H2,41,42,58)/b21-12-/t15-,19?,20?,22+,23+,25?,26+/m0/s1
    MOLECULAR FORMULA
    C33H50Cl2N14O9S
    CROSS REFERENCES
    Loading...
    canSAR420016
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight888.30
    AlogP-4.72
    HBond donors19
    HBond acceptors23
    Atoms109
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR420016.