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canSAR1721422
FEATURES
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NAMES
    SMILES
    Cc1cccc2c(SCC(=O)NCC3CCCO3)nc(-c3ccc(F)cc3)nc12
    InChI
    InChI=1S/C22H22FN3O2S/c1-14-4-2-6-18-20(14)25-21(15-7-9-16(23)10-8-15)26-22(18)29-13-19(27)24-12-17-5-3-11-28-17/h2,4,6-10,17H,3,5,11-13H2,1H3,(H,24,27)
    MOLECULAR FORMULA
    C22H22FN3O2S
    CROSS REFERENCES
    1721422 logo

    canSAR1721422

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.14
    AlogP 4.13
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1721422.