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canSAR1201601
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NAMES
    SMILES
    CCCN/C=C1\N=C2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3N2C1=O
    InChI
    InChI=1S/C21H18Cl2N4O/c1-2-9-24-11-17-21(28)27-18-8-7-13(22)10-15(18)20(25-12-19(27)26-17)14-5-3-4-6-16(14)23/h3-8,10-11,24H,2,9,12H2,1H3/b17-11-
    MOLECULAR FORMULA
    C21H18Cl2N4O
    CROSS REFERENCES
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    canSAR1201601

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.09
    AlogP 4.43
    HBond donors 1
    HBond acceptors 5
    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 canSAR1201601.