canSAR2095920
FEATURES
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NAMES
    SMILES
    CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1nccs1
    InChI
    InChI=1S/C26H32BrN3O4S/c1-15(2)16-12-17-18(13-19(16)27)25(3)6-5-7-26(4,24(32)33)21(25)14-20(17)30-34-10-8-28-22(31)23-29-9-11-35-23/h9,11-13,15,21H,5-8,10,14H2,1-4H3,(H,28,31)(H,32,33)/b30-20+/t21-,25-,26-/m1/s1
    MOLECULAR FORMULA
    C26H32BrN3O4S
    CROSS REFERENCES
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    canSAR2095920
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight561.13
    AlogP5.73
    HBond donors2
    HBond acceptors7
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095920.