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canSAR1620830
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NAMES
    SMILES
    CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccncc1
    InChI
    InChI=1S/C18H13Cl2N9O2/c1-9(10-4-6-22-7-5-10)23-25-18(30)14-15(11-2-3-12(19)13(20)8-11)29(28-24-14)17-16(21)26-31-27-17/h2-8H,1H3,(H2,21,26)(H,25,30)
    MOLECULAR FORMULA
    C18H13Cl2N9O2
    CROSS REFERENCES
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    canSAR1620830

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.06
    AlogP 2.76
    HBond donors 3
    HBond acceptors 11
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620830.