canSAR1417061
FEATURES
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NAMES
    SMILES
    Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1
    InChI
    InChI=1S/C20H18N4O5S/c1-12-4-2-3-5-17(12)23-18(25)9-19-22-13(11-30-19)10-29-20(26)15-8-14(24(27)28)6-7-16(15)21/h2-8,11H,9-10,21H2,1H3,(H,23,25)
    MOLECULAR FORMULA
    C20H18N4O5S
    CROSS REFERENCES
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    canSAR1417061
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight426.10
    AlogP3.48
    HBond donors3
    HBond acceptors9
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417061.