canSAR598692
FEATURES
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NAMES
    SMILES
    O=C(CCc1ccccc1)n1nc(-c2ccco2)nc1SCc1ccccc1
    InChI
    InChI=1S/C22H19N3O2S/c26-20(14-13-17-8-3-1-4-9-17)25-22(28-16-18-10-5-2-6-11-18)23-21(24-25)19-12-7-15-27-19/h1-12,15H,13-14,16H2
    MOLECULAR FORMULA
    C22H19N3O2S
    CROSS REFERENCES
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    canSAR598692
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight389.12
    AlogP5.10
    HBond donors0
    HBond acceptors5
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR598692.