canSAR823652
FEATURES
Loading...
NAMES
    SMILES
    CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1
    InChI
    InChI=1S/C35H49N5O9S/c1-5-23-17-35(23,31(43)38-50(46,47)25-13-14-25)37-29(41)27-16-24-19-40(27)30(42)28(34(2,3)4)36-32(44)48-15-8-6-7-10-21-11-9-12-22-18-39(20-26(21)22)33(45)49-24/h9,11-12,23-25,27-28H,5-8,10,13-20H2,1-4H3,(H,36,44)(H,37,41)(H,38,43)/t23-,24-,27+,28-,35-/m1/s1
    MOLECULAR FORMULA
    C35H49N5O9S
    CROSS REFERENCES
    Loading...
    canSAR823652
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight715.33
    AlogP2.87
    HBond donors3
    HBond acceptors14
    Atoms99
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823652.