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canSAR1649860
FEATURES
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NAMES
    SMILES
    CC1CCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C18H21N5O3S/c1-11-6-8-22(9-7-11)14-5-4-13(10-15(14)23(25)26)16(24)19-18-21-20-17(27-18)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,21,24)
    MOLECULAR FORMULA
    C18H21N5O3S
    CROSS REFERENCES
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    canSAR1649860

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.14
    AlogP 3.81
    HBond donors 1
    HBond acceptors 8
    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 canSAR1649860.