1765551 logo
canSAR1765551
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC
    InChI
    InChI=1S/C47H77N7O7S/c1-9-32-28-47(32,42(59)51-62(60,61)52(10-2)11-3)50-39(56)35-29-46(44(7,8)45(46)25-19-26-45)30-54(35)41(58)37(43(4,5)6)49-40(57)36(31-20-13-12-14-21-31)48-38(55)34-24-17-18-27-53(34)33-22-15-16-23-33/h9,31-37H,1,10-30H2,2-8H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t32-,34+,35+,36+,37-,46-,47-/m1/s1
    MOLECULAR FORMULA
    C47H77N7O7S
    CROSS REFERENCES
    1765551 logo

    canSAR1765551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 883.56
    AlogP 4.94
    HBond donors 4
    HBond acceptors 14
    Atoms 139
    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 canSAR1765551.