5662 logo
canSAR5662
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1cccc(C)c1
    InChI
    InChI=1S/C33H52N4O5/c1-20(2)25(19-22(4)29(39)37-17-13-16-24(37)31(41)42)36(11)30(40)27(32(5,6)7)35-28(38)26(34-10)33(8,9)23-15-12-14-21(3)18-23/h12,14-15,18-20,24-27,34H,13,16-17H2,1-11H3,(H,35,38)(H,41,42)/b22-19+/t24-,25-,26-,27-/m1/s1
    MOLECULAR FORMULA
    C33H52N4O5
    CROSS REFERENCES
    5662 logo

    canSAR5662

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.39
    AlogP 3.90
    HBond donors 3
    HBond acceptors 9
    Atoms 94
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR5662.