1968521 logo
canSAR1968521
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NCc1ccccn1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(Br)cc1
    InChI
    InChI=1S/C18H19BrN4O5S/c19-13-4-6-15(7-5-13)29(26,27)23-9-10-28-16(23)12-22-18(25)17(24)21-11-14-3-1-2-8-20-14/h1-8,16H,9-12H2,(H,21,24)(H,22,25)
    MOLECULAR FORMULA
    C18H19BrN4O5S
    CROSS REFERENCES
    1968521 logo

    canSAR1968521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.03
    AlogP 0.62
    HBond donors 2
    HBond acceptors 9
    Atoms 48
    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 canSAR1968521.