canSAR1746420
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)NN2CC(=O)C(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)=C2N)cc1
    InChI
    InChI=1S/C21H17N5O4S/c1-12-5-7-13(8-6-12)20(28)24-25-10-17(27)18(19(25)22)21-23-16(11-31-21)14-3-2-4-15(9-14)26(29)30/h2-9,11H,10,22H2,1H3,(H,24,28)
    MOLECULAR FORMULA
    C21H17N5O4S
    CROSS REFERENCES
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    canSAR1746420
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight435.10
    AlogP2.88
    HBond donors3
    HBond acceptors9
    Atoms48
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746420.