canSAR1583772
FEATURES
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NAMES
    SMILES
    Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@@H]1CC[C@H](O)[C@H](N)C1
    InChI
    InChI=1S/C21H21F2N5O2S/c22-12-2-1-3-13(23)17(12)21-28-18(19(25)31-21)20(30)27-15-9-26-7-6-11(15)10-4-5-16(29)14(24)8-10/h1-3,6-7,9-10,14,16,29H,4-5,8,24-25H2,(H,27,30)/t10-,14-,16+/m1/s1
    MOLECULAR FORMULA
    C21H21F2N5O2S
    CROSS REFERENCES
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    canSAR1583772
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight445.14
    AlogP3.27
    HBond donors6
    HBond acceptors7
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1583772.