2000189 logo
canSAR2000189
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1
    InChI
    InChI=1S/C18H15ClN4O3S2/c1-2-15(27-14-8-6-12(19)7-9-14)16(24)20-18-22-21-17(28-18)11-4-3-5-13(10-11)23(25)26/h3-10,15H,2H2,1H3,(H,20,22,24)
    MOLECULAR FORMULA
    C18H15ClN4O3S2
    CROSS REFERENCES
    2000189 logo

    canSAR2000189

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.03
    AlogP 5.28
    HBond donors 1
    HBond acceptors 7
    Atoms 43
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2000189.