canSAR2065994
FEATURES
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NAMES
    SMILES
    CN1c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc2CS1(=O)=O
    InChI
    InChI=1S/C21H23ClN4O3S/c1-25-18-10-14(2-3-15(18)13-30(25,28)29)16-11-23-12-17(22)19(16)26-8-5-21(6-9-26)4-7-24-20(21)27/h2-3,10-12H,4-9,13H2,1H3,(H,24,27)
    MOLECULAR FORMULA
    C21H23ClN4O3S
    CROSS REFERENCES
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    canSAR2065994
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight446.12
    AlogP2.79
    HBond donors1
    HBond acceptors7
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2065994.