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canSAR1408466
FEATURES
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NAMES
    SMILES
    C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=NNC(N)=O
    InChI
    InChI=1S/C19H20N4O5/c1-2-5-14-6-3-4-7-17(14)27-10-11-28-18-9-8-16(23(25)26)12-15(18)13-21-22-19(20)24/h2-4,6-9,12-13H,1,5,10-11H2,(H3,20,22,24)
    MOLECULAR FORMULA
    C19H20N4O5
    CROSS REFERENCES
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    canSAR1408466

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.14
    AlogP 2.78
    HBond donors 3
    HBond acceptors 9
    Atoms 48
    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 canSAR1408466.