canSAR1087014
FEATURES
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NAMES
    SMILES
    Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nc2ccccc2s1
    InChI
    InChI=1S/C21H14ClN3O3S/c1-12-14(21-24-18-6-2-3-8-19(18)29-21)5-4-7-17(12)23-20(26)15-11-13(25(27)28)9-10-16(15)22/h2-11H,1H3,(H,23,26)
    MOLECULAR FORMULA
    C21H14ClN3O3S
    CROSS REFERENCES
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    canSAR1087014
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight423.04
    AlogP6.09
    HBond donors1
    HBond acceptors6
    Atoms43
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087014.