74974 logo
canSAR74974
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)CCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCCN)c4Cl)cn3C)cn2C)cn1C
    InChI
    InChI=1S/C31H42ClN11O4S/c1-40(2)12-7-6-10-34-27(44)22-13-19(16-41(22)3)36-28(45)23-14-20(17-42(23)4)37-29(46)24-15-21(18-43(24)5)38-30(47)26-25(32)31(48-39-26)35-11-8-9-33/h13-18,35H,6-12,33H2,1-5H3,(H,34,44)(H,36,45)(H,37,46)(H,38,47)
    MOLECULAR FORMULA
    C31H42ClN11O4S
    CROSS REFERENCES
    74974 logo

    canSAR74974

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 699.28
    AlogP 3.40
    HBond donors 7
    HBond acceptors 15
    Atoms 90
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR74974.