343302 logo
canSAR343302
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)C(=O)/C(C#N)=C(\Nc1cccc2c(Cl)c[nH]c12)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O
    InChI
    InChI=1S/C26H32ClN7O3/c1-32(2)25(36)18(14-28)24(30-20-10-7-8-17-19(27)15-29-23(17)20)31-21-9-3-4-13-34(26(21)37)16-22(35)33-11-5-6-12-33/h7-8,10,15,21,29-31H,3-6,9,11-13,16H2,1-2H3/b24-18+/t21-/m0/s1
    MOLECULAR FORMULA
    C26H32ClN7O3
    CROSS REFERENCES
    343302 logo

    canSAR343302

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.23
    AlogP 2.65
    HBond donors 3
    HBond acceptors 10
    Atoms 69
    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 canSAR343302.