canSAR1534951
FEATURES
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NAMES
    SMILES
    O=C(CCCSc1nc2ccccc2[nH]1)NCc1ccccc1Cl
    InChI
    InChI=1S/C18H18ClN3OS/c19-14-7-2-1-6-13(14)12-20-17(23)10-5-11-24-18-21-15-8-3-4-9-16(15)22-18/h1-4,6-9H,5,10-12H2,(H,20,23)(H,21,22)
    MOLECULAR FORMULA
    C18H18ClN3OS
    CROSS REFERENCES
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    canSAR1534951
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight359.09
    AlogP4.41
    HBond donors2
    HBond acceptors4
    Atoms42
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1534951.