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canSAR78848
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NAMES
    SMILES
    CC(=O)NC1C2C=C(C)CC1c1c(nc3cc(Cl)ccc3c1N)C2
    InChI
    InChI=1S/C19H20ClN3O/c1-9-5-11-7-16-17(14(6-9)19(11)22-10(2)24)18(21)13-4-3-12(20)8-15(13)23-16/h3-5,8,11,14,19H,6-7H2,1-2H3,(H2,21,23)(H,22,24)
    MOLECULAR FORMULA
    C19H20ClN3O
    CROSS REFERENCES
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    canSAR78848

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.13
    AlogP 3.58
    HBond donors 3
    HBond acceptors 4
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR78848.