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canSAR990753
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NAMES
    SMILES
    CN(C)C1CCc2c(C#Cc3ccc4c(Cl)c(CN)sc4c3)cccc21
    InChI
    InChI=1S/C22H21ClN2S/c1-25(2)19-11-10-16-15(4-3-5-17(16)19)8-6-14-7-9-18-20(12-14)26-21(13-24)22(18)23/h3-5,7,9,12,19H,10-11,13,24H2,1-2H3
    MOLECULAR FORMULA
    C22H21ClN2S
    CROSS REFERENCES
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    canSAR990753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.11
    AlogP 4.96
    HBond donors 2
    HBond acceptors 2
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990753.