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canSAR1145468
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NAMES
    SMILES
    O=C(NO)c1cc2ccc(CN(CCO)C(=O)Nc3ccccc3)cc2s1
    InChI
    InChI=1S/C19H19N3O4S/c23-9-8-22(19(25)20-15-4-2-1-3-5-15)12-13-6-7-14-11-17(18(24)21-26)27-16(14)10-13/h1-7,10-11,23,26H,8-9,12H2,(H,20,25)(H,21,24)
    MOLECULAR FORMULA
    C19H19N3O4S
    CROSS REFERENCES
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    canSAR1145468

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.11
    AlogP 3.05
    HBond donors 4
    HBond acceptors 7
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145468.