92091 logo
canSAR92091
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1
    InChI
    InChI=1S/C32H41N7O3/c1-32(2,33-3)31(42)37-27(16-20-18-35-24-12-6-4-10-22(20)24)30(41)39-28(38-29(40)26-14-8-9-15-34-26)17-21-19-36-25-13-7-5-11-23(21)25/h4-7,10-13,18-19,26-28,33-36H,8-9,14-17H2,1-3H3,(H,37,42)(H,38,40)(H,39,41)/t26?,27-,28-/m1/s1
    MOLECULAR FORMULA
    C32H41N7O3
    CROSS REFERENCES
    92091 logo

    canSAR92091

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.33
    AlogP 2.62
    HBond donors 7
    HBond acceptors 10
    Atoms 83
    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 canSAR92091.