176905 logo
canSAR176905
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccccc1S(=O)(=O)NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O
    InChI
    InChI=1S/C28H31N7O7S/c1-17-6-2-5-9-24(17)43(41,42)35-28(40)34-22(12-18-14-31-21-8-4-3-7-20(18)21)26(37)30-11-10-25(36)33-23(27(38)39)13-19-15-29-16-32-19/h2-9,14-16,22-23,31H,10-13H2,1H3,(H,29,32)(H,30,37)(H,33,36)(H,38,39)(H2,34,35,40)
    MOLECULAR FORMULA
    C28H31N7O7S
    CROSS REFERENCES
    176905 logo

    canSAR176905

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.20
    AlogP 1.12
    HBond donors 7
    HBond acceptors 14
    Atoms 74
    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 canSAR176905.