1143635 logo
canSAR1143635
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@H](C)O)c1ccccc1
    InChI
    InChI=1S/C40H53N7O14/c1-20(2)16-26(45-38(58)32(22(4)48)47-39(59)33(42-23(5)49)25-14-10-7-11-15-25)36(56)44-27(18-30(50)51)35(55)41-21(3)34(54)43-28(19-31(52)53)37(57)46-29(40(60)61)17-24-12-8-6-9-13-24/h6-15,20-22,26-29,32-33,48H,16-19H2,1-5H3,(H,41,55)(H,42,49)(H,43,54)(H,44,56)(H,45,58)(H,46,57)(H,47,59)(H,50,51)(H,52,53)(H,60,61)/t21-,22-,26-,27-,28-,29-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C40H53N7O14
    CROSS REFERENCES
    1143635 logo

    canSAR1143635

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 855.37
    AlogP -1.50
    HBond donors 11
    HBond acceptors 21
    Atoms 114
    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 canSAR1143635.