400430 logo
canSAR400430
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCCCCCC(=O)NCc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1
    InChI
    InChI=1S/C27H43N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-25(32)29-20-21-14-16-22(17-15-21)26(33)30-23(27(34)35)18-19-24(28)31/h14-17,23H,2-13,18-20H2,1H3,(H2,28,31)(H,29,32)(H,30,33)(H,34,35)/t23-/m0/s1
    MOLECULAR FORMULA
    C27H43N3O5
    CROSS REFERENCES
    400430 logo

    canSAR400430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.32
    AlogP 4.45
    HBond donors 5
    HBond acceptors 8
    Atoms 78
    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 canSAR400430.