2095507 logo
canSAR2095507
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N#CC[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1
    InChI
    InChI=1S/C27H30N4O3/c28-16-15-23(19-22-12-7-17-29-26(22)33)30-27(34)24(18-21-10-5-2-6-11-21)31-25(32)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,22-24H,7,12,15,17-19H2,(H,29,33)(H,30,34)(H,31,32)/b14-13+/t22-,23+,24-/m0/s1
    MOLECULAR FORMULA
    C27H30N4O3
    CROSS REFERENCES
    2095507 logo

    canSAR2095507

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.23
    AlogP 2.74
    HBond donors 3
    HBond acceptors 7
    Atoms 64
    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 canSAR2095507.