83688 logo
canSAR83688
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)CC(N)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(CC2CC2)CC2CC2)CC1
    InChI
    InChI=1S/C32H44Cl2N4O/c1-22(2)17-29(35)27-5-3-4-6-30(27)36-13-15-37(16-14-36)32(39)31(18-25-11-12-26(33)19-28(25)34)38(20-23-7-8-23)21-24-9-10-24/h3-6,11-12,19,22-24,29,31H,7-10,13-18,20-21,35H2,1-2H3/t29?,31-/m1/s1
    MOLECULAR FORMULA
    C32H44Cl2N4O
    CROSS REFERENCES
    83688 logo

    canSAR83688

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.29
    AlogP 6.42
    HBond donors 2
    HBond acceptors 5
    Atoms 83
    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 canSAR83688.