2002132 logo
canSAR2002132
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1c(C=CCCC(=O)NCCCCNCCCNC(=O)CCC=Cc2c(C)c(O)c3cccc(O)c3c2O)c(O)c2c(O)cccc2c1O
    InChI
    InChI=1S/C39H47N3O8/c1-24-26(38(49)34-28(36(24)47)14-9-16-30(34)43)12-3-5-18-32(45)41-22-8-7-20-40-21-11-23-42-33(46)19-6-4-13-27-25(2)37(48)29-15-10-17-31(44)35(29)39(27)50/h3-4,9-10,12-17,40,43-44,47-50H,5-8,11,18-23H2,1-2H3,(H,41,45)(H,42,46)
    MOLECULAR FORMULA
    C39H47N3O8
    CROSS REFERENCES
    2002132 logo

    canSAR2002132

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 685.34
    AlogP 6.12
    HBond donors 9
    HBond acceptors 11
    Atoms 97
    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 canSAR2002132.