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canSAR990921
FEATURES
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NAMES
    SMILES
    COc1cc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)[nH]c2cc1NC(=O)C1CC1
    InChI
    InChI=1S/C21H24N4O4S/c1-11-9-22-17(12(2)19(11)29-4)10-30(27)21-24-14-7-16(23-20(26)13-5-6-13)18(28-3)8-15(14)25-21/h7-9,13H,5-6,10H2,1-4H3,(H,23,26)(H,24,25)
    MOLECULAR FORMULA
    C21H24N4O4S
    CROSS REFERENCES
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    canSAR990921

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.15
    AlogP 3.25
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990921.