canSAR591089
FEATURES
Loading...
NAMES
    SMILES
    O=C(NCCN(CCNC(=O)c1cc(S(=O)(=O)O)cc(-c2ccccn2)c1O)CCNC(=O)c1cc(S(=O)(=O)O)cc(-c2ccccn2)c1O)c1cc(S(=O)(=O)O)cc(-c2ccccn2)c1O
    InChI
    InChI=1S/C42H39N7O15S3/c50-37-28(34-7-1-4-10-43-34)19-25(65(56,57)58)22-31(37)40(53)46-13-16-49(17-14-47-41(54)32-23-26(66(59,60)61)20-29(38(32)51)35-8-2-5-11-44-35)18-15-48-42(55)33-24-27(67(62,63)64)21-30(39(33)52)36-9-3-6-12-45-36/h1-12,19-24,50-52H,13-18H2,(H,46,53)(H,47,54)(H,48,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)
    MOLECULAR FORMULA
    C42H39N7O15S3
    CROSS REFERENCES
    Loading...
    canSAR591089
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight977.17
    AlogP2.62
    HBond donors9
    HBond acceptors22
    Atoms106
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR591089.