canSAR414357
FEATURES
Loading...
NAMES
    SMILES
    CN1CCc2nc(C(=O)N[C@@H]3CCC[C@H]3NS(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
    InChI
    InChI=1S/C21H24ClN5O3S2/c1-27-8-7-17-18(11-27)31-21(25-17)20(28)24-15-3-2-4-16(15)26-32(29,30)19-10-12-9-13(22)5-6-14(12)23-19/h5-6,9-10,15-16,23,26H,2-4,7-8,11H2,1H3,(H,24,28)/t15-,16-/m1/s1
    MOLECULAR FORMULA
    C21H24ClN5O3S2
    CROSS REFERENCES
    Loading...
    canSAR414357
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight493.10
    AlogP2.90
    HBond donors3
    HBond acceptors8
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR414357.