1637501 logo
canSAR1637501
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1
    InChI
    InChI=1S/C24H24N4O4S/c1-16-11-13-27(14-12-16)19-7-5-18(6-8-19)25-24(33)26-23(29)22-10-9-21(32-22)17-3-2-4-20(15-17)28(30)31/h2-10,15-16H,11-14H2,1H3,(H2,25,26,29,33)
    MOLECULAR FORMULA
    C24H24N4O4S
    CROSS REFERENCES
    1637501 logo

    canSAR1637501

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.15
    AlogP 5.22
    HBond donors 2
    HBond acceptors 8
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1637501.