canSAR2093637
FEATURES
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NAMES
    SMILES
    COc1cccc(NC(CC(N)=O)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1
    InChI
    InChI=1S/C19H18N6O3S/c1-28-11-4-2-3-10(7-11)22-15(8-16(20)26)18(27)24-19-23-14-6-5-13-12(9-21-25-13)17(14)29-19/h2-7,9,15,22H,8H2,1H3,(H2,20,26)(H,21,25)(H,23,24,27)
    MOLECULAR FORMULA
    C19H18N6O3S
    CROSS REFERENCES
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    canSAR2093637
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight410.12
    AlogP2.48
    HBond donors5
    HBond acceptors9
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093637.