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canSAR1201960
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NAMES
    SMILES
    CC(C)(C)N/C=C1\N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O
    InChI
    InChI=1S/C22H21ClN4O/c1-22(2,3)25-12-17-21(28)27-18-10-9-15(23)11-16(18)20(24-13-19(27)26-17)14-7-5-4-6-8-14/h4-12,25H,13H2,1-3H3/b17-12-
    MOLECULAR FORMULA
    C22H21ClN4O
    CROSS REFERENCES
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    canSAR1201960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.14
    AlogP 4.17
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    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 canSAR1201960.