canSAR1417466
FEATURES
Loading...
NAMES
    SMILES
    CC(C)(C)NC(=O)[C@@H]1CCCN1CC(O)CNC(=O)[C@@H]1N[C@@H](C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C.O
    InChI
    InChI=1S/C35H50N6O5S.H2O/c1-34(2,3)40-30(44)26-17-12-18-41(26)22-25(42)21-37-32(46)29-35(4,5)47-33(39-29)28(31(45)36-20-24-15-10-7-11-16-24)38-27(43)19-23-13-8-6-9-14-23;/h6-11,13-16,25-26,28-29,33,39,42H,12,17-22H2,1-5H3,(H,36,45)(H,37,46)(H,38,43)(H,40,44);1H2/t25?,26-,28?,29-,33+;/m0./s1
    MOLECULAR FORMULA
    C35H52N6O6S
    CROSS REFERENCES
    Loading...
    canSAR1417466
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight684.37
    AlogP0.87
    HBond donors8
    HBond acceptors12
    Atoms100
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417466.