1015651 logo
canSAR1015651
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(NC(=O)c4ccc(C(=O)O)cn4)cs3)nc2-c2csc(n2)-c2csc(n2)[C@H]([C@@H](O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C
    InChI
    InChI=1S/C54H48N14O10S6/c1-23(2)38-53-68-41(34(84-53)18-78-5)46(74)57-17-37(70)65-42(43(71)25-9-7-6-8-10-25)52-62-33(21-81-52)50-60-31(19-80-50)40-27(12-14-29(58-40)49-64-35(22-82-49)63-44(72)28-13-11-26(16-56-28)54(76)77)48-61-32(20-79-48)45(73)59-30(15-36(69)55-4)51-67-39(24(3)83-51)47(75)66-38/h6-14,16,19-23,30,38,42-43,71H,15,17-18H2,1-5H3,(H,55,69)(H,57,74)(H,59,73)(H,63,72)(H,65,70)(H,66,75)(H,76,77)/t30-,38-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C54H48N14O10S6
    CROSS REFERENCES
    1015651 logo

    canSAR1015651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1244.20
    AlogP 7.66
    HBond donors 8
    HBond acceptors 24
    Atoms 132
    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 canSAR1015651.