canSAR1829361
FEATURES
Loading...
NAMES
    SMILES
    CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
    InChI
    InChI=1S/C45H75N7O7S/c1-9-31-26-45(31,40(57)49-60(58,59)50-23-15-16-24-50)48-37(54)33-27-44(42(7,8)43(44)21-17-22-43)28-52(33)39(56)35(41(4,5)6)47-38(55)34(30-18-11-10-12-19-30)46-36(53)32-20-13-14-25-51(32)29(2)3/h29-35H,9-28H2,1-8H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32-,33+,34+,35-,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H75N7O7S
    CROSS REFERENCES
    Loading...
    canSAR1829361
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight857.54
    AlogP4.38
    HBond donors4
    HBond acceptors14
    Atoms135
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1829361.