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canSAR1150030
FEATURES
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NAMES
    SMILES
    O=C1NC(=S)N/C1=C/c1cc2cc(-c3ccc4c(c3)CCNC4=O)ccc2[nH]1
    InChI
    InChI=1S/C21H16N4O2S/c26-19-16-3-1-11(7-13(16)5-6-22-19)12-2-4-17-14(8-12)9-15(23-17)10-18-20(27)25-21(28)24-18/h1-4,7-10,23H,5-6H2,(H,22,26)(H2,24,25,27,28)/b18-10+
    MOLECULAR FORMULA
    C21H16N4O2S
    CROSS REFERENCES
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    canSAR1150030

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.10
    AlogP 2.47
    HBond donors 4
    HBond acceptors 6
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1150030.