canSAR1387988
FEATURES
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NAMES
    SMILES
    N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc[n+](Cc2cccc(Cl)c2)c1
    InChI
    InChI=1S/C25H17ClN3O3/c26-17-7-3-5-15(11-17)13-29-10-4-6-16(14-29)21-19(12-27)24(28)32-23-18-8-1-2-9-20(18)31-25(30)22(21)23/h1-11,14,21H,13,28H2/q+1
    MOLECULAR FORMULA
    C25H17ClN3O3+
    CROSS REFERENCES
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    canSAR1387988
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight442.10
    AlogP4.00
    HBond donors2
    HBond acceptors6
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387988.