canSAR1387989
FEATURES
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NAMES
    SMILES
    N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc[n+](Cc2cccc(Cl)c2)c1.[Cl-]
    InChI
    InChI=1S/C25H17ClN3O3.ClH/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;1H/q+1;/p-1
    MOLECULAR FORMULA
    C25H17Cl2N3O3
    CROSS REFERENCES
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    canSAR1387989
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight477.06
    AlogP1.00
    HBond donors2
    HBond acceptors6
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387989.