canSAR818303
FEATURES
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NAMES
    SMILES
    O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccs1
    InChI
    InChI=1S/C21H14N2O3S2/c24-20(18-11-6-14-27-18)25-12-3-4-13-28-21-23-22-19(26-21)17-10-5-8-15-7-1-2-9-16(15)17/h1-2,5-11,14H,12-13H2
    MOLECULAR FORMULA
    C21H14N2O3S2
    CROSS REFERENCES
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    canSAR818303
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight406.04
    AlogP4.90
    HBond donors0
    HBond acceptors5
    Atoms42
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818303.